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

C16H30N2O — CID 106593096

IUPAC2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide
SMILESCC(C(=O)NC1CCC(C)(C)C1)C1CCCC(N)C1
InChIInChI=1S/C16H30N2O/c1-11(12-5-4-6-13(17)9-12)15(19)18-14-7-8-16(2,3)10-14/h11-14H,4-10,17H2,1-3H3,(H,18,19)
InChIKeyHRHFABBRNZMJJB-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.83
Rot. Bonds3

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

2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide (PubChem CID 106593096) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide
PubChem CID106593096
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide
SMILESCC(C(=O)NC1CCC(C)(C)C1)C1CCCC(N)C1
InChIInChI=1S/C16H30N2O/c1-11(12-5-4-6-13(17)9-12)15(19)18-14-7-8-16(2,3)10-14/h11-14H,4-10,17H2,1-3H3,(H,18,19)
InChIKeyHRHFABBRNZMJJB-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide (CID 106593096) is 2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide is CC(C(=O)NC1CCC(C)(C)C1)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide?
The InChIKey is HRHFABBRNZMJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-11(12-5-4-6-13(17)9-12)15(19)18-14-7-8-16(2,3)10-14/h11-14H,4-10,17H2,1-3H3,(H,18,19).
What are the key properties of 2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide?
2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide has a molecular weight of 266.43 g/mol, XLogP of 2.83, 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-dimethylcyclopentyl)propanamide is sourced from PubChem (CID 106593096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).