1-(aminomethyl)-N-(4-phenylcyclohexyl)cyclopentane-1-carboxamide

C19H28N2O — CID 119716208

IUPAC1-(aminomethyl)-N-(4-phenylcyclohexyl)cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NC2CCC(c3ccccc3)CC2)CCCC1
InChIInChI=1S/C19H28N2O/c20-14-19(12-4-5-13-19)18(22)21-17-10-8-16(9-11-17)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14,20H2,(H,21,22)
InChIKeyLUKFFBWWWVIRGQ-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.35
Rot. Bonds4

About 1-(aminomethyl)-N-(4-phenylcyclohexyl)cyclopentane-1-carboxamide

1-(aminomethyl)-N-(4-phenylcyclohexyl)cyclopentane-1-carboxamide (PubChem CID 119716208) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-phenylcyclohexyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-phenylcyclohexyl)cyclopentane-1-carboxamide
PubChem CID119716208
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-(aminomethyl)-N-(4-phenylcyclohexyl)cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NC2CCC(c3ccccc3)CC2)CCCC1
InChIInChI=1S/C19H28N2O/c20-14-19(12-4-5-13-19)18(22)21-17-10-8-16(9-11-17)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14,20H2,(H,21,22)
InChIKeyLUKFFBWWWVIRGQ-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119285410
4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride
CID 120931146
4-amino-N-(4-phenylcyclohexyl)butanamide
CID 43699336
1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide
CID 115437435
1-(aminomethyl)-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80588748
1-(aminomethyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide
CID 115447459
1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide
CID 79394609
1-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
CID 107222320
1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide
CID 104966706
1-(aminomethyl)-N-(3-methylcyclopentyl)cyclobutane-1-carboxamide
CID 114545052
N-(4-aminocyclohexyl)-1-(aminomethyl)-4-methylcyclohexane-1-carboxamide
CID 115442068
(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
CID 119285391

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-phenylcyclohexyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(4-phenylcyclohexyl)cyclopentane-1-carboxamide (CID 119716208) is 1-(aminomethyl)-N-(4-phenylcyclohexyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(4-phenylcyclohexyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(4-phenylcyclohexyl)cyclopentane-1-carboxamide is NCC1(C(=O)NC2CCC(c3ccccc3)CC2)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(4-phenylcyclohexyl)cyclopentane-1-carboxamide?
The InChIKey is LUKFFBWWWVIRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c20-14-19(12-4-5-13-19)18(22)21-17-10-8-16(9-11-17)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14,20H2,(H,21,22).
What are the key properties of 1-(aminomethyl)-N-(4-phenylcyclohexyl)cyclopentane-1-carboxamide?
1-(aminomethyl)-N-(4-phenylcyclohexyl)cyclopentane-1-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-phenylcyclohexyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119716208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).