4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride

C13H27ClN2O — CID 119319062

IUPAC4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
SMILESCC(C)C1CCCC(NC(=O)CCCN)C1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(2)11-5-3-6-12(9-11)15-13(16)7-4-8-14;/h10-12H,3-9,14H2,1-2H3,(H,15,16);1H
InChIKeyJLCAPALPYZOBPW-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.48
Rot. Bonds5

About 4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride

4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride (PubChem CID 119319062) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
PubChem CID119319062
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
SMILESCC(C)C1CCCC(NC(=O)CCCN)C1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(2)11-5-3-6-12(9-11)15-13(16)7-4-8-14;/h10-12H,3-9,14H2,1-2H3,(H,15,16);1H
InChIKeyJLCAPALPYZOBPW-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride
CID 119889114
4-amino-3-methoxy-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 120591771
7-amino-N-(3-methylcyclohexyl)heptanamide
CID 43317968
N-cyclopropyl-3-[(3-propan-2-ylcyclohexyl)amino]propanamide
CID 107448606
2-amino-N-(3-propan-2-ylcyclohexyl)propanamide
CID 119319045
2-methyl-3-(methylamino)-N-(3-propan-2-ylcyclohexyl)propanamide;hydrochloride
CID 119775861
3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119775867
4-[(3-propan-2-ylcyclohexyl)amino]butanoic acid
CID 107448290
6-amino-N-(4-methylcycloheptyl)hexanamide
CID 114100037
4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
CID 43698431
4-amino-N-(thian-4-yl)butanamide;hydrochloride
CID 119313242
N-(3-methylcyclohexyl)-4-(propan-2-ylamino)butanamide
CID 60850780

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride (CID 119319062) is 4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride is CC(C)C1CCCC(NC(=O)CCCN)C1.Cl.
What is the InChIKey of 4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride?
The InChIKey is JLCAPALPYZOBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-10(2)11-5-3-6-12(9-11)15-13(16)7-4-8-14;/h10-12H,3-9,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride?
4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride is sourced from PubChem (CID 119319062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).