1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride

C14H29ClN2O — CID 119263591

IUPAC1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)CCC(C)NC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-11(2)7-8-12(3)16-13(17)14(15)9-5-4-6-10-14;/h11-12H,4-10,15H2,1-3H3,(H,16,17);1H
InChIKeyQOOZWMIIPNENDA-UHFFFAOYSA-N
MW276.85 g/mol
LogP3.01
Rot. Bonds5

About 1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride

1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119263591) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is 1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119263591
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)CCC(C)NC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-11(2)7-8-12(3)16-13(17)14(15)9-5-4-6-10-14;/h11-12H,4-10,15H2,1-3H3,(H,16,17);1H
InChIKeyQOOZWMIIPNENDA-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82945894
1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
CID 63926094
1-amino-N-(4-methoxybutan-2-yl)cyclopentane-1-carboxamide
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CID 119327905
1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
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1-amino-N-(3-methylbutyl)cyclopentane-1-carboxamide
CID 60866848
1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119263350
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CID 81179948
1-amino-N-(1-hydroxy-4-methylpentan-3-yl)cyclohexane-1-carboxamide
CID 103796589
1-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119295658
1-amino-N-(3-methylbutyl)cyclobutane-1-carboxamide
CID 81167864
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CID 119300951

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride (CID 119263591) is 1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride is CC(C)CCC(C)NC(=O)C1(N)CCCCC1.Cl.
What is the InChIKey of 1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is QOOZWMIIPNENDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-11(2)7-8-12(3)16-13(17)14(15)9-5-4-6-10-14;/h11-12H,4-10,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119263591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).