Back to Search
N-Methyl-4-Piperidinamine
CAS: 45584-07-4 | C6H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
45584-07-4
Molecular Formula:
C6H14N2
Molecular Weight:
114.19200000000001 g/mol
Names and Synonyms:
N-Methyl-4-Piperidinamine
N-Methyl-N-(piperidin-4-yl)amine
4-(Methylamino)piperidine
N-Methyl-4-piperidinamine
4-Piperidinamine, N-methyl-
Identifiers:
SMILES:
CNC1CCNCC1
InChI:
InChI=1S/C6H14N2/c1-7-6-2-4-8-5-3-6/h6-8H,2-5H2,1H3
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 |
---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
Shift (ppm) | DEPT | Assignment |
---|
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
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 114.19200000000001 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 114.11569844799999 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 8 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 2 count | RDKit |
Hydrogen Bond Donors | 2 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 | 24.06 Ų | RDKit |
Physical Properties
Property | Value | Source |
---|---|---|
LogP | -0.04220000000000024 | RDKit |
molecular_mass | 114.19 g/mol | Legacy Database |
cas-canonical-smile | N1CCC(NC)CC1 None | Legacy Database |
cas-inchi | InChI=1S/C6H14N2/c1-7-6-2-4-8-5-3-6/h6-8H,2-5H2,1H3 None | Legacy Database |
cas-inchi-key | InChIKey=FHTGZDVYPCEHFQ-UHFFFAOYSA-N None | Legacy Database |
cas-name | N-Methyl-4-piperidinamine None | Legacy Database |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 34.95139999999999 | RDKit |