3-amino-N-(2-hydroxy-3-methylpentyl)cyclohexane-1-carboxamide;hydrochloride

C13H27ClN2O2 — CID 119784027

IUPAC3-amino-N-(2-hydroxy-3-methylpentyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCCC(C)C(O)CNC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-3-9(2)12(16)8-15-13(17)10-5-4-6-11(14)7-10;/h9-12,16H,3-8,14H2,1-2H3,(H,15,17);1H
InChIKeyGQRATGVBNOMFND-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.45
Rot. Bonds5

About 3-amino-N-(2-hydroxy-3-methylpentyl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(2-hydroxy-3-methylpentyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119784027) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-3-methylpentyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-3-methylpentyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119784027
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Name3-amino-N-(2-hydroxy-3-methylpentyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCCC(C)C(O)CNC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-3-9(2)12(16)8-15-13(17)10-5-4-6-11(14)7-10;/h9-12,16H,3-8,14H2,1-2H3,(H,15,17);1H
InChIKeyGQRATGVBNOMFND-UHFFFAOYSA-N
XLogP1.45
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-hydroxy-3-methylpentyl)cyclopentane-1-carboxamide
CID 119784024
(2S,3S)-2-[(3-aminocyclohexanecarbonyl)amino]-3-methylpentanoic acid
CID 63044886
ethyl 2-[(3-aminocyclohexanecarbonyl)amino]-3-methylpentanoate
CID 119808262
2-[[(3-aminocyclohexanecarbonyl)amino]methyl]-3-methylbutanoic acid
CID 65223926
3-amino-N-[2-(diethylamino)-4-methylpentyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119842264
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828819
3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide
CID 119722404
3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119734117
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
methyl (2S)-2-[(3-aminocyclohexanecarbonyl)amino]propanoate
CID 63044300
ethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate
CID 119789233

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-3-methylpentyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-hydroxy-3-methylpentyl)cyclohexane-1-carboxamide;hydrochloride (CID 119784027) is 3-amino-N-(2-hydroxy-3-methylpentyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-hydroxy-3-methylpentyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-hydroxy-3-methylpentyl)cyclohexane-1-carboxamide;hydrochloride is CCC(C)C(O)CNC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-(2-hydroxy-3-methylpentyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is GQRATGVBNOMFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-3-9(2)12(16)8-15-13(17)10-5-4-6-11(14)7-10;/h9-12,16H,3-8,14H2,1-2H3,(H,15,17);1H.
What are the key properties of 3-amino-N-(2-hydroxy-3-methylpentyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(2-hydroxy-3-methylpentyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-3-methylpentyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119784027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).