3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide

C17H32N2O — CID 80700308

IUPAC3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)CCC2CCCC(N)C2)CC1C
InChIInChI=1S/C17H32N2O/c1-12-6-8-16(10-13(12)2)19-17(20)9-7-14-4-3-5-15(18)11-14/h12-16H,3-11,18H2,1-2H3,(H,19,20)
InChIKeyPJOWNNVNCGPFSX-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.22
Rot. Bonds4

About 3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide

3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide (PubChem CID 80700308) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide
PubChem CID80700308
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)CCC2CCCC(N)C2)CC1C
InChIInChI=1S/C17H32N2O/c1-12-6-8-16(10-13(12)2)19-17(20)9-7-14-4-3-5-15(18)11-14/h12-16H,3-11,18H2,1-2H3,(H,19,20)
InChIKeyPJOWNNVNCGPFSX-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide
CID 80701268
3-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide
CID 114551074
3-(3-aminocyclohexyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide
CID 80700576
3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide
CID 80700557
3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide
CID 80701611
N-(4-aminocyclohexyl)-3-cyclopentylpropanamide;hydrochloride
CID 119260252
5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide
CID 64743274
3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83118112
N-(3,4-dimethylcyclohexyl)-2-piperidin-3-ylacetamide
CID 64743103
3-(3-aminocyclohexyl)-N-piperidin-1-ylpropanamide
CID 83024895
3-cyclohexyl-N-[4-(methylamino)cyclohexyl]propanamide
CID 43653177
3-(3-aminocyclohexyl)-N-hexan-2-ylpropanamide
CID 80701095

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide?
The IUPAC name of 3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide (CID 80700308) is 3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide.
What is the SMILES notation for 3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide?
The canonical SMILES for 3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide is CC1CCC(NC(=O)CCC2CCCC(N)C2)CC1C.
What is the InChIKey of 3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide?
The InChIKey is PJOWNNVNCGPFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-12-6-8-16(10-13(12)2)19-17(20)9-7-14-4-3-5-15(18)11-14/h12-16H,3-11,18H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide?
3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide has a molecular weight of 280.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide is sourced from PubChem (CID 80700308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).