3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride

C16H25ClN2O — CID 119670922

IUPAC3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)C2CCCC(N)C2)c(C)c1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-10-7-11(2)15(12(3)8-10)18-16(19)13-5-4-6-14(17)9-13;/h7-8,13-14H,4-6,9,17H2,1-3H3,(H,18,19);1H
InChIKeyWQHFCLRFJOWDPR-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.49
Rot. Bonds2

About 3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119670922) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119670922
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)C2CCCC(N)C2)c(C)c1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-10-7-11(2)15(12(3)8-10)18-16(19)13-5-4-6-14(17)9-13;/h7-8,13-14H,4-6,9,17H2,1-3H3,(H,18,19);1H
InChIKeyWQHFCLRFJOWDPR-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 63041984
3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673929
3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide
CID 112741900
3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide
CID 107641644
3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide
CID 63042160
3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119675270
3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705338
3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119787234
3-amino-N-(4,6-dimethylpyrimidin-2-yl)cyclohexane-1-carboxamide
CID 63043384
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143
3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide
CID 63042324
N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 119707704

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride (CID 119670922) is 3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride is Cc1cc(C)c(NC(=O)C2CCCC(N)C2)c(C)c1.Cl.
What is the InChIKey of 3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is WQHFCLRFJOWDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-10-7-11(2)15(12(3)8-10)18-16(19)13-5-4-6-14(17)9-13;/h7-8,13-14H,4-6,9,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119670922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).