1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride

C12H25ClN2O — CID 119263350

IUPAC1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride
SMILESCCC(CC)NC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-3-10(4-2)14-11(15)12(13)8-6-5-7-9-12;/h10H,3-9,13H2,1-2H3,(H,14,15);1H
InChIKeyUDWJMLUNORESPM-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.37
Rot. Bonds4

About 1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride

1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119263350) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119263350
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride
SMILESCCC(CC)NC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-3-10(4-2)14-11(15)12(13)8-6-5-7-9-12;/h10H,3-9,13H2,1-2H3,(H,14,15);1H
InChIKeyUDWJMLUNORESPM-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 93315413
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CID 119300951
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CID 119263591
1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106344921
1-amino-N-pent-1-yn-3-ylcyclobutane-1-carboxamide
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(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid
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4-amino-N-hexan-3-yloxane-4-carboxamide
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1-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119322718
1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
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1-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1-carboxamide
CID 54924699
1-amino-N-heptan-2-ylcyclobutane-1-carboxamide
CID 81179948
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CID 82945894

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride (CID 119263350) is 1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride is CCC(CC)NC(=O)C1(N)CCCCC1.Cl.
What is the InChIKey of 1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is UDWJMLUNORESPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-3-10(4-2)14-11(15)12(13)8-6-5-7-9-12;/h10H,3-9,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride?
1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119263350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).