3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride

C12H25ClN2O2 — CID 119765560

IUPAC3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCOCCC(C)NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-9(6-7-16-2)14-12(15)10-4-3-5-11(13)8-10;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H
InChIKeyRSNAENHRBKGJKC-UHFFFAOYSA-N
MW264.80 g/mol
LogP1.47
Rot. Bonds5

About 3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119765560) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119765560
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Name3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCOCCC(C)NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-9(6-7-16-2)14-12(15)10-4-3-5-11(13)8-10;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H
InChIKeyRSNAENHRBKGJKC-UHFFFAOYSA-N
XLogP1.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide
CID 64603511
2-[(3-aminocyclohexanecarbonyl)amino]-5-methoxypentanoic acid
CID 81078641
1-(3-aminocyclohexyl)-4-methoxy-2-methylbutan-1-one
CID 116568865
methyl (2S)-2-[(3-aminocyclohexanecarbonyl)amino]propanoate
CID 63044300
6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid
CID 65286189
3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 119793621
5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide
CID 64603308
3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693905
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119694990
3-amino-N-(3-hydroxy-4-methoxybutyl)cyclohexane-1-carboxamide
CID 113423463
3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide
CID 63044483
2-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide
CID 64603110

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride (CID 119765560) is 3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride is COCCC(C)NC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is RSNAENHRBKGJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-9(6-7-16-2)14-12(15)10-4-3-5-11(13)8-10;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119765560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).