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N,N′-Dicyclohexyl-4-Morpholinecarboxamidine
CAS: 4975-73-9 | C17H31N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4975-73-9
Molecular Formula:
C17H31N3O
Molecular Mass:
293.46 g/mol
Names and Synonyms:
N,N′-Dicyclohexyl-4-Morpholinecarboxamidine
4-Morpholinecarboximidamide, N,N′-dicyclohexyl-
4-Morpholinecarboxamidine, N,N′-dicyclohexyl-
N,N′-Dicyclohexyl-4-morpholinecarboximidamide
N,N′-Dicyclohexyl-4-morpholinecarboxamidine
4-Morpholino-N,N′-dicyclohexylcarboxamidine
Morpholino-N,N′-dicyclohexylcarboxamidine
4-Morpholine-N,N′-dicyclohexylcarboxamidine
U 18177
NSC 67197
Identifiers:
SMILES:
C1CCC(N=C(NC2CCCCC2)N2CCOCC2)CC1
InChI:
InChI=1S/C17H31N3O/c1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16/h15-16H,1-14H2,(H,18,19)
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 293.46 g/mol | CAS Common Chemistry |
| 293.45500000000004 g/mol | RDKit | |
| 293.246712612 g/mol | RDKit | |
| Canonical SMILES | N(=C(NC1CCCCC1)N2CCOCC2)C3CCCCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C17H31N3O/c1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16/h15-16H,1-14H2,(H,18,19) | CAS Common Chemistry |
| InChI Key | InChIKey=OZNYZQOTXQSUJM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N′-Dicyclohexyl-4-morpholinecarboxamidine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.86 Ų | RDKit |
| LogP | 2.9296000000000015 | RDKit |
| Molar Refractivity | 86.70870000000006 | RDKit |
