3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride

C13H27ClN2O — CID 119763282

IUPAC3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCCCC(C)(C)NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-8-13(2,3)15-12(16)10-6-5-7-11(14)9-10;/h10-11H,4-9,14H2,1-3H3,(H,15,16);1H
InChIKeyOWFDAVXELROIRQ-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.62
Rot. Bonds4

About 3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119763282) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119763282
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCCCC(C)(C)NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-8-13(2,3)15-12(16)10-6-5-7-11(14)9-10;/h10-11H,4-9,14H2,1-3H3,(H,15,16);1H
InChIKeyOWFDAVXELROIRQ-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-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119674765
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide
CID 63045589
2-[(3-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid
CID 66010443
3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide
CID 122080572
3-amino-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119774339
methyl 2-[(3-aminocyclohexanecarbonyl)amino]-2-methylpropanoate
CID 63043974
(3S)-N-(2-methylpentan-2-yl)piperidine-3-carboxamide
CID 104862424
3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclopentane-1-carboxamide
CID 66009158
3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 119778147
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
N-(4-hydroxy-2-methylbutan-2-yl)cyclobutanecarboxamide
CID 115869890
3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride (CID 119763282) is 3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride is CCCC(C)(C)NC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is OWFDAVXELROIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-4-8-13(2,3)15-12(16)10-6-5-7-11(14)9-10;/h10-11H,4-9,14H2,1-3H3,(H,15,16);1H.
What are the key properties of 3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;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 3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119763282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).