N-[2-(aminomethyl)cyclohexyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide

C18H26N2O — CID 119611682

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1C1CC1C(=O)NC1CCCCC1CN
InChIInChI=1S/C18H26N2O/c1-12-6-2-4-8-14(12)15-10-16(15)18(21)20-17-9-5-3-7-13(17)11-19/h2,4,6,8,13,15-17H,3,5,7,9-11,19H2,1H3,(H,20,21)
InChIKeyWGWXNMHEHYLQDY-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.73
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide

N-[2-(aminomethyl)cyclohexyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 119611682) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
PubChem CID119611682
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1C1CC1C(=O)NC1CCCCC1CN
InChIInChI=1S/C18H26N2O/c1-12-6-2-4-8-14(12)15-10-16(15)18(21)20-17-9-5-3-7-13(17)11-19/h2,4,6,8,13,15-17H,3,5,7,9-11,19H2,1H3,(H,20,21)
InChIKeyWGWXNMHEHYLQDY-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 124779575
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 119602374
N-[2-(aminomethyl)cyclohexyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
CID 119612033
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119602373
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 71930187
N-[2-(aminomethyl)cyclopentyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395880
[(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone
CID 124573529
2-(2-methylphenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119453095
N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
CID 119610198
N-[2-(aminomethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62956923
3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119221223

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide (CID 119611682) is N-[2-(aminomethyl)cyclohexyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide is Cc1ccccc1C1CC1C(=O)NC1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is WGWXNMHEHYLQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12-6-2-4-8-14(12)15-10-16(15)18(21)20-17-9-5-3-7-13(17)11-19/h2,4,6,8,13,15-17H,3,5,7,9-11,19H2,1H3,(H,20,21).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119611682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).