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

C15H31ClN2O — CID 119674765

IUPAC3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)(C)CC(C)(C)NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-14(2,3)10-15(4,5)17-13(18)11-7-6-8-12(16)9-11;/h11-12H,6-10,16H2,1-5H3,(H,17,18);1H
InChIKeyCOSQPEXPARUFQD-UHFFFAOYSA-N
MW290.88 g/mol
LogP3.26
Rot. Bonds3

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

3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119674765) has the molecular formula C15H31ClN2O and a molecular weight of 290.88 g/mol. Its IUPAC name is 3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119674765
Molecular FormulaC15H31ClN2O
Molecular Weight290.88 g/mol
Exact Mass290.21
IUPAC Name3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)(C)CC(C)(C)NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-14(2,3)10-15(4,5)17-13(18)11-7-6-8-12(16)9-11;/h11-12H,6-10,16H2,1-5H3,(H,17,18);1H
InChIKeyCOSQPEXPARUFQD-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.88
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclopentane-1-carboxamide
CID 66009158
3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119763282
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
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide
CID 63045589
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclohexane-1-carboxamide
CID 114176946
3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119830598
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 119778147
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
2-(4-aminocyclohexyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 62782466

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride (CID 119674765) is 3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride is CC(C)(C)CC(C)(C)NC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is COSQPEXPARUFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O.ClH/c1-14(2,3)10-15(4,5)17-13(18)11-7-6-8-12(16)9-11;/h11-12H,6-10,16H2,1-5H3,(H,17,18);1H.
What are the key properties of 3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 290.88 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119674765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).