4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide

C17H27N3O — CID 104963718

IUPAC4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(CN)CC2)cc1N(C)C
InChIInChI=1S/C17H27N3O/c1-12-4-9-15(10-16(12)20(2)3)19-17(21)14-7-5-13(11-18)6-8-14/h4,9-10,13-14H,5-8,11,18H2,1-3H3,(H,19,21)
InChIKeyCCUPVWWNCPJJLD-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.76
Rot. Bonds4

About 4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide (PubChem CID 104963718) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide
PubChem CID104963718
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(CN)CC2)cc1N(C)C
InChIInChI=1S/C17H27N3O/c1-12-4-9-15(10-16(12)20(2)3)19-17(21)14-7-5-13(11-18)6-8-14/h4,9-10,13-14H,5-8,11,18H2,1-3H3,(H,19,21)
InChIKeyCCUPVWWNCPJJLD-UHFFFAOYSA-N
XLogP2.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide
CID 115377268
N-[3-(dimethylamino)-4-methylphenyl]piperidine-3-carboxamide
CID 115377234
4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 79527030
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 81488925
4-(aminomethyl)-N-(2-methyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 79511681
1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea
CID 116656999
4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide
CID 79510866
4-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide
CID 79526732
4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 55201939
1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376953
2-amino-2-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]propanamide
CID 115377371
4-(aminomethyl)-N-(3-ethynylphenyl)cyclohexane-1-carboxamide
CID 79527469

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide (CID 104963718) is 4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2CCC(CN)CC2)cc1N(C)C.
What is the InChIKey of 4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide?
The InChIKey is CCUPVWWNCPJJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-4-9-15(10-16(12)20(2)3)19-17(21)14-7-5-13(11-18)6-8-14/h4,9-10,13-14H,5-8,11,18H2,1-3H3,(H,19,21).
What are the key properties of 4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 104963718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).