N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride

C17H27ClN2O — CID 119601012

IUPACN-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride
SMILESCC(C)C(C(=O)NC1CCCC1CN)c1ccccc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12(2)16(13-7-4-3-5-8-13)17(20)19-15-10-6-9-14(15)11-18;/h3-5,7-8,12,14-16H,6,9-11,18H2,1-2H3,(H,19,20);1H
InChIKeyJYLXVDBPSMWKRW-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.09
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride (PubChem CID 119601012) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride
PubChem CID119601012
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride
SMILESCC(C)C(C(=O)NC1CCCC1CN)c1ccccc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12(2)16(13-7-4-3-5-8-13)17(20)19-15-10-6-9-14(15)11-18;/h3-5,7-8,12,14-16H,6,9-11,18H2,1-2H3,(H,19,20);1H
InChIKeyJYLXVDBPSMWKRW-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride
CID 119609450
N-[2-(aminomethyl)cyclopentyl]-2-(diethylamino)-2-phenylacetamide
CID 119602222
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119601158
N-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 119602707
N-[2-(aminomethyl)cyclopentyl]-3-phenylpentanamide;hydrochloride
CID 119604654
N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide
CID 119601992
N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide;hydrochloride
CID 119601989
2-amino-N-[2-(aminomethyl)cyclopentyl]propanamide
CID 130609723
N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride
CID 119474856
3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide
CID 122080744
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
CID 119602801

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride (CID 119601012) is N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride is CC(C)C(C(=O)NC1CCCC1CN)c1ccccc1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride?
The InChIKey is JYLXVDBPSMWKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-12(2)16(13-7-4-3-5-8-13)17(20)19-15-10-6-9-14(15)11-18;/h3-5,7-8,12,14-16H,6,9-11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride is sourced from PubChem (CID 119601012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).