2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclohexyl)propanamide

C17H32N2O — CID 106593005

IUPAC2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclohexyl)propanamide
SMILESCC(C(=O)NC1CCCC(C)(C)C1)C1CCCC(N)C1
InChIInChI=1S/C17H32N2O/c1-12(13-6-4-7-14(18)10-13)16(20)19-15-8-5-9-17(2,3)11-15/h12-15H,4-11,18H2,1-3H3,(H,19,20)
InChIKeyOZEGMUJASNQNLI-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.22
Rot. Bonds3

About 2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclohexyl)propanamide

2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclohexyl)propanamide (PubChem CID 106593005) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclohexyl)propanamide
PubChem CID106593005
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclohexyl)propanamide
SMILESCC(C(=O)NC1CCCC(C)(C)C1)C1CCCC(N)C1
InChIInChI=1S/C17H32N2O/c1-12(13-6-4-7-14(18)10-13)16(20)19-15-8-5-9-17(2,3)11-15/h12-15H,4-11,18H2,1-3H3,(H,19,20)
InChIKeyOZEGMUJASNQNLI-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 2-(3-aminocyclohexyl)-N-(3,3-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

2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide
CID 106593096
2-(3-aminocyclohexyl)-N-cyclopentylpropanamide
CID 106592608
2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide
CID 106592764
1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea
CID 116656967
2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide
CID 106592721
3-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide
CID 114551074
2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide
CID 106593109
(2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride
CID 130616794
2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide
CID 106592741
2-(3-aminocyclohexyl)-N-(1-ethoxypropan-2-yl)propanamide
CID 106592825
2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106592732
2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
CID 106592817

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclohexyl)propanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclohexyl)propanamide (CID 106593005) is 2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclohexyl)propanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclohexyl)propanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclohexyl)propanamide is CC(C(=O)NC1CCCC(C)(C)C1)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclohexyl)propanamide?
The InChIKey is OZEGMUJASNQNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-12(13-6-4-7-14(18)10-13)16(20)19-15-8-5-9-17(2,3)11-15/h12-15H,4-11,18H2,1-3H3,(H,19,20).
What are the key properties of 2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclohexyl)propanamide?
2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclohexyl)propanamide has a molecular weight of 280.46 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclohexyl)propanamide is sourced from PubChem (CID 106593005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).