4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride

C13H27ClN2O — CID 120562889

IUPAC4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NC1CCCCC1(C)C.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(14)7-8-12(16)15-11-6-4-5-9-13(11,2)3;/h10-11H,4-9,14H2,1-3H3,(H,15,16);1H
InChIKeyZCQVNOHBGMNZFT-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.62
Rot. Bonds4

About 4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride

4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride (PubChem CID 120562889) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride
PubChem CID120562889
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NC1CCCCC1(C)C.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(14)7-8-12(16)15-11-6-4-5-9-13(11,2)3;/h10-11H,4-9,14H2,1-3H3,(H,15,16);1H
InChIKeyZCQVNOHBGMNZFT-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2,2-dimethylcyclohexyl)propanamide
CID 79870321
2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214456
6-amino-N-(2,2-dimethylcyclohexyl)hexanamide
CID 79878465
(2R)-2-amino-N-(2,2-dimethylcyclohexyl)butanamide
CID 79878292
4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid
CID 79878132
2-amino-N-(2,2-dimethylcyclohexyl)pentanamide
CID 79877969
2-amino-N-(2,2-dimethylcyclohexyl)-4-methylpentanamide
CID 79878464
(3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide
CID 79878962
1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79856385
4-amino-N-(2,2-dimethylcyclopentyl)-4-methylpentanamide
CID 79878624
4-[(2,2-dimethylcyclohexyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 79861192
3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide
CID 79872318

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride (CID 120562889) is 4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride is CC(N)CCC(=O)NC1CCCCC1(C)C.Cl.
What is the InChIKey of 4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride?
The InChIKey is ZCQVNOHBGMNZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-10(14)7-8-12(16)15-11-6-4-5-9-13(11,2)3;/h10-11H,4-9,14H2,1-3H3,(H,15,16);1H.
What are the key properties of 4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride?
4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride is sourced from PubChem (CID 120562889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).