1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N,4-dimethylcyclohexane-1-carboxamide

C17H25BrN2O — CID 115441678

IUPAC1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N,4-dimethylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)N(C)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H25BrN2O/c1-13-7-9-17(12-19,10-8-13)16(21)20(2)11-14-3-5-15(18)6-4-14/h3-6,13H,7-12,19H2,1-2H3
InChIKeyRJDYMIYZCTYQGI-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.56
Rot. Bonds4

About 1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N,4-dimethylcyclohexane-1-carboxamide

1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N,4-dimethylcyclohexane-1-carboxamide (PubChem CID 115441678) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N,4-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N,4-dimethylcyclohexane-1-carboxamide
PubChem CID115441678
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N,4-dimethylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)N(C)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H25BrN2O/c1-13-7-9-17(12-19,10-8-13)16(21)20(2)11-14-3-5-15(18)6-4-14/h3-6,13H,7-12,19H2,1-2H3
InChIKeyRJDYMIYZCTYQGI-UHFFFAOYSA-N
XLogP3.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide
CID 115441733
1-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447419
1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 80587212
1-(aminomethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 115442008
1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 115442195
1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 115448413
4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120918448
4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120930723
1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide
CID 115441330
N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
CID 104985630
1-(aminomethyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 113310523
N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide
CID 60678400

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N,4-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N,4-dimethylcyclohexane-1-carboxamide (CID 115441678) is 1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N,4-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N,4-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N,4-dimethylcyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)N(C)Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N,4-dimethylcyclohexane-1-carboxamide?
The InChIKey is RJDYMIYZCTYQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-13-7-9-17(12-19,10-8-13)16(21)20(2)11-14-3-5-15(18)6-4-14/h3-6,13H,7-12,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N,4-dimethylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N,4-dimethylcyclohexane-1-carboxamide has a molecular weight of 353.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N,4-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 115441678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).