N-(4-aminocyclohexyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride

C19H29ClN2O — CID 119474817

IUPACN-(4-aminocyclohexyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C2CC2C(=O)NC2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-12(2)13-3-5-14(6-4-13)17-11-18(17)19(22)21-16-9-7-15(20)8-10-16;/h3-6,12,15-18H,7-11,20H2,1-2H3,(H,21,22);1H
InChIKeyISFHZADXICNGML-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.72
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119474817) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119474817
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC NameN-(4-aminocyclohexyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C2CC2C(=O)NC2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-12(2)13-3-5-14(6-4-13)17-11-18(17)19(22)21-16-9-7-15(20)8-10-16;/h3-6,12,15-18H,7-11,20H2,1-2H3,(H,21,22);1H
InChIKeyISFHZADXICNGML-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpiperidin-4-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 120600612
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119572585
N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119495241
N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119500317
2-(4-propan-2-ylphenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119533821
trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 129377935
trans-(1R,2R)-2-(4-chlorophenyl)-N-(1,1-dioxothian-4-yl)cyclopropane-1-carboxamide
CID 95760742
N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 119474628
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
CID 119246168
4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230221
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 110280040

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119474817) is N-(4-aminocyclohexyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride is CC(C)c1ccc(C2CC2C(=O)NC2CCC(N)CC2)cc1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is ISFHZADXICNGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-12(2)13-3-5-14(6-4-13)17-11-18(17)19(22)21-16-9-7-15(20)8-10-16;/h3-6,12,15-18H,7-11,20H2,1-2H3,(H,21,22);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119474817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).