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

C16H30N2O — CID 114551074

IUPAC3-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide
SMILESCC1(C)CCC(NC(=O)CCC2CCCC(N)C2)C1
InChIInChI=1S/C16H30N2O/c1-16(2)9-8-14(11-16)18-15(19)7-6-12-4-3-5-13(17)10-12/h12-14H,3-11,17H2,1-2H3,(H,18,19)
InChIKeyNPYIVKWGQWVQIB-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.98
Rot. Bonds4

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

3-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide (PubChem CID 114551074) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide.

Molecular Properties

Compound Name3-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide
PubChem CID114551074
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide
SMILESCC1(C)CCC(NC(=O)CCC2CCCC(N)C2)C1
InChIInChI=1S/C16H30N2O/c1-16(2)9-8-14(11-16)18-15(19)7-6-12-4-3-5-13(17)10-12/h12-14H,3-11,17H2,1-2H3,(H,18,19)
InChIKeyNPYIVKWGQWVQIB-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylcyclopentyl)-3-piperidin-3-ylpropanamide
CID 114546429
3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide
CID 80700308
2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide
CID 106593096
N-(3,3-dimethylcyclopentyl)-5-hydroxypentanamide
CID 114541453
3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide
CID 80701268
N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butanamide
CID 114546434
N-[3-[(3,3-dimethylcyclopentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 115882524
3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide
CID 80700557
3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide
CID 80701611
N-(3,3-dimethylcyclopentyl)-2-(propan-2-ylamino)acetamide
CID 114546396
4-amino-N-(3,3-dimethylcyclopentyl)-2-methylcyclohexane-1-carboxamide
CID 114551073
N-(3,3-dimethylcyclopentyl)-4-ethoxybutanamide
CID 115881736

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide?
The IUPAC name of 3-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide (CID 114551074) is 3-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide.
What is the SMILES notation for 3-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide?
The canonical SMILES for 3-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide is CC1(C)CCC(NC(=O)CCC2CCCC(N)C2)C1.
What is the InChIKey of 3-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide?
The InChIKey is NPYIVKWGQWVQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-16(2)9-8-14(11-16)18-15(19)7-6-12-4-3-5-13(17)10-12/h12-14H,3-11,17H2,1-2H3,(H,18,19).
What are the key properties of 3-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide?
3-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide has a molecular weight of 266.43 g/mol, XLogP of 2.98, 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-(3,3-dimethylcyclopentyl)propanamide is sourced from PubChem (CID 114551074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).