2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide

C17H27N3O — CID 62006539

IUPAC2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C2(CN)CCCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-14-6-8-15(9-7-14)19-16(21)12-20(2)17(13-18)10-4-3-5-11-17/h6-9H,3-5,10-13,18H2,1-2H3,(H,19,21)
InChIKeyIGMHFSWINMCRBI-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.53
Rot. Bonds5

About 2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 62006539) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID62006539
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C2(CN)CCCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-14-6-8-15(9-7-14)19-16(21)12-20(2)17(13-18)10-4-3-5-11-17/h6-9H,3-5,10-13,18H2,1-2H3,(H,19,21)
InChIKeyIGMHFSWINMCRBI-UHFFFAOYSA-N
XLogP2.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 62007740
1-hydroxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 110890174
2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 115669668
2-[1-adamantyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 22194369
2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide
CID 62008520
1-[1-(aminomethyl)cyclohexyl]-3-(4-methylphenyl)urea
CID 63765978
1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 28798848
2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588778
2-[(2-aminocyclohexyl)-methylamino]-N-(4-methylphenyl)acetamide
CID 102639899
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 2583554
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
(1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate
CID 79338062

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 62006539) is 2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)C2(CN)CCCCC2)cc1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is IGMHFSWINMCRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-6-8-15(9-7-14)19-16(21)12-20(2)17(13-18)10-4-3-5-11-17/h6-9H,3-5,10-13,18H2,1-2H3,(H,19,21).
What are the key properties of 2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 62006539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).