N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide

C18H26N2O — CID 103970193

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
SMILESNCC1(CNC(=O)C2(c3ccccc3)CC2)CCCCC1
InChIInChI=1S/C18H26N2O/c19-13-17(9-5-2-6-10-17)14-20-16(21)18(11-12-18)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14,19H2,(H,20,21)
InChIKeyCTAFQVOQWQEUDF-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.74
Rot. Bonds5

About N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide

N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 103970193) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID103970193
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
SMILESNCC1(CNC(=O)C2(c3ccccc3)CC2)CCCCC1
InChIInChI=1S/C18H26N2O/c19-13-17(9-5-2-6-10-17)14-20-16(21)18(11-12-18)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14,19H2,(H,20,21)
InChIKeyCTAFQVOQWQEUDF-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 113313525
N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64865922
dimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium
CID 2518064
N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 126790169
N-[1-(aminomethyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide
CID 63753599
N-[[1-(aminomethyl)cyclohexyl]methyl]aniline
CID 115438130
1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
CID 115362498
1-(4-bromophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
CID 115362333
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
phenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate
CID 113295201
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117
1-[[(4-phenyloxane-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544882

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide (CID 103970193) is N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide is NCC1(CNC(=O)C2(c3ccccc3)CC2)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is CTAFQVOQWQEUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c19-13-17(9-5-2-6-10-17)14-20-16(21)18(11-12-18)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14,19H2,(H,20,21).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 103970193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).