2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide

C15H22N2O — CID 79025906

IUPAC2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCCC1CN)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-11(12-6-3-2-4-7-12)17-15(18)14-9-5-8-13(14)10-16/h2-4,6-7,11,13-14H,5,8-10,16H2,1H3,(H,17,18)/t11-,13?,14?/m1/s1
InChIKeyWQVMIHUDYOMBDN-LMWSTFAQSA-N
MW246.35 g/mol
LogP2.24
Rot. Bonds4

About 2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide

2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide (PubChem CID 79025906) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
PubChem CID79025906
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCCC1CN)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-11(12-6-3-2-4-7-12)17-15(18)14-9-5-8-13(14)10-16/h2-4,6-7,11,13-14H,5,8-10,16H2,1H3,(H,17,18)/t11-,13?,14?/m1/s1
InChIKeyWQVMIHUDYOMBDN-LMWSTFAQSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1S)-1-phenylethyl]cyclopentane-1-carboxamide
CID 64851455
2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 81360383
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404734
2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81384002
2-amino-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
CID 79001242
cis-(1R,2R)-2-ethyl-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 134523880
cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide
CID 134523878
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 81390427
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
2-(aminomethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 112702848
(1S)-2-[[(1R)-1-phenylethyl]amino]-N-propan-2-ylcyclopentane-1-carboxamide
CID 143582335
2-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-thiophen-2-ylacetic acid
CID 115284735

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide (CID 79025906) is 2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide is C[C@@H](NC(=O)C1CCCC1CN)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide?
The InChIKey is WQVMIHUDYOMBDN-LMWSTFAQSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(12-6-3-2-4-7-12)17-15(18)14-9-5-8-13(14)10-16/h2-4,6-7,11,13-14H,5,8-10,16H2,1H3,(H,17,18)/t11-,13?,14?/m1/s1.
What are the key properties of 2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide?
2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79025906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).