1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide

C15H20Br2N2O — CID 115441642

IUPAC1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)Nc2cc(Br)ccc2Br)CC1
InChIInChI=1S/C15H20Br2N2O/c1-10-4-6-15(9-18,7-5-10)14(20)19-13-8-11(16)2-3-12(13)17/h2-3,8,10H,4-7,9,18H2,1H3,(H,19,20)
InChIKeyXCUIOMIEWZAWIH-UHFFFAOYSA-N
MW404.15 g/mol
LogP4.31
Rot. Bonds3

About 1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 115441642) has the molecular formula C15H20Br2N2O and a molecular weight of 404.15 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide
PubChem CID115441642
Molecular FormulaC15H20Br2N2O
Molecular Weight404.15 g/mol
Exact Mass401.99
IUPAC Name1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)Nc2cc(Br)ccc2Br)CC1
InChIInChI=1S/C15H20Br2N2O/c1-10-4-6-15(9-18,7-5-10)14(20)19-13-8-11(16)2-3-12(13)17/h2-3,8,10H,4-7,9,18H2,1H3,(H,19,20)
InChIKeyXCUIOMIEWZAWIH-UHFFFAOYSA-N
XLogP4.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.15
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82757222
1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide
CID 82756642
1-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4-methylcyclohexane-1-carboxamide
CID 115441616
3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-4-bromobenzoic acid
CID 107813532
1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide
CID 115443809
1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
CID 81484278
1-(aminomethyl)-N-(3-fluoro-2-methylphenyl)-4-methylcyclohexane-1-carboxamide
CID 115441999
1-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4-methylcyclohexane-1-carboxamide
CID 115441980
1-amino-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide
CID 65465089
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-bromobenzoic acid
CID 115435155
1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide
CID 107625627
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)cycloheptane-1-carboxamide
CID 115444052

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide (CID 115441642) is 1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)Nc2cc(Br)ccc2Br)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is XCUIOMIEWZAWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N2O/c1-10-4-6-15(9-18,7-5-10)14(20)19-13-8-11(16)2-3-12(13)17/h2-3,8,10H,4-7,9,18H2,1H3,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 404.15 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115441642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).