N-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide

C17H24N2O — CID 119602028

IUPACN-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide
SMILESNCC1CCCC1NC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H24N2O/c18-12-13-6-4-9-15(13)19-16(20)17(10-5-11-17)14-7-2-1-3-8-14/h1-3,7-8,13,15H,4-6,9-12,18H2,(H,19,20)
InChIKeyLIQMTCFSXWXXFS-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.35
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide

N-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 119602028) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide
PubChem CID119602028
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide
SMILESNCC1CCCC1NC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H24N2O/c18-12-13-6-4-9-15(13)19-16(20)17(10-5-11-17)14-7-2-1-3-8-14/h1-3,7-8,13,15H,4-6,9-12,18H2,(H,19,20)
InChIKeyLIQMTCFSXWXXFS-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119602262
2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813061
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide
CID 76978536
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
benzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
CID 143174173
N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride
CID 119600623
3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030740
1-(4-bromophenyl)-N-[2-(hydroxymethyl)cyclopentyl]cyclopropane-1-carboxamide
CID 103751443
N-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64929111
N-(2-amino-1-cyclopropylethyl)-1-phenylcyclopentane-1-carboxamide
CID 119616687
2-amino-N-[2-(aminomethyl)cyclopentyl]-2-phenylpropanamide
CID 122080715
N-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 120577312

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide (CID 119602028) is N-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide is NCC1CCCC1NC(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is LIQMTCFSXWXXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c18-12-13-6-4-9-15(13)19-16(20)17(10-5-11-17)14-7-2-1-3-8-14/h1-3,7-8,13,15H,4-6,9-12,18H2,(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 119602028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).