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1-(1-Methylethyl)-4-Piperidinamine
CAS: 127285-08-9 | C8H18N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
127285-08-9
Molecular Formula:
C8H18N2
Molecular Weight:
142.24599999999998 g/mol
Names and Synonyms:
1-(1-Methylethyl)-4-Piperidinamine
4-Piperidinamine, 1-(1-methylethyl)-
1-(1-Methylethyl)-4-piperidinamine
4-Amino-1-(1-methylethyl)piperidine
1-Isopropyl-4-aminopiperidine
(1-Isopropylpiperidin-4-yl)amine
1-Isopropylpiperidin-4-amine
4-Amino-1-isopropylpiperidine
N-Isopropyl-4-aminopiperidine
1-(Propan-2-yl)piperidin-4-amine
1-Propan-2-ylpiperidin-4-amine
Identifiers:
SMILES:
CC(C)N1CCC(N)CC1
InChI:
InChI=1S/C8H18N2/c1-7(2)10-5-3-8(9)4-6-10/h7-8H,3-6,9H2,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
Property | Value | Source |
---|---|---|
molecular_mass | 142.25 g/mol | Legacy Database |
cas-canonical-smile | NC1CCN(CC1)C(C)C None | Legacy Database |
cas-inchi | InChI=1S/C8H18N2/c1-7(2)10-5-3-8(9)4-6-10/h7-8H,3-6,9H2,1-2H3 None | Legacy Database |
cas-inchi-key | InChIKey=ZRQQXFMGYSOKDF-UHFFFAOYSA-N None | Legacy Database |
cas-name | 1-(1-Methylethyl)-4-piperidinamine None | Legacy Database |
LogP | 0.8179 | RDKit |
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 142.24599999999998 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 142.146998576 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 10 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 2 count | RDKit |
Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 1 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 43.91840000000001 | RDKit |