1-amino-N-[2-methyl-2-(2-methylphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride

C17H27ClN2O — CID 119308087

IUPAC1-amino-N-[2-methyl-2-(2-methylphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1ccccc1C(C)(C)CNC(=O)C1(N)CCCC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13-8-4-5-9-14(13)16(2,3)12-19-15(20)17(18)10-6-7-11-17;/h4-5,8-9H,6-7,10-12,18H2,1-3H3,(H,19,20);1H
InChIKeyQCTVSNGNDJLLCK-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.08
Rot. Bonds4

About 1-amino-N-[2-methyl-2-(2-methylphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride

1-amino-N-[2-methyl-2-(2-methylphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119308087) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-amino-N-[2-methyl-2-(2-methylphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-methyl-2-(2-methylphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119308087
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-amino-N-[2-methyl-2-(2-methylphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1ccccc1C(C)(C)CNC(=O)C1(N)CCCC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13-8-4-5-9-14(13)16(2,3)12-19-15(20)17(18)10-6-7-11-17;/h4-5,8-9H,6-7,10-12,18H2,1-3H3,(H,19,20);1H
InChIKeyQCTVSNGNDJLLCK-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide
CID 115190062
1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270631
1-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119325984
1-amino-N-(2,2-dimethyl-3-phenylpropyl)cyclopentane-1-carboxamide
CID 119329656
2-(methylamino)-N-[2-methyl-2-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119756879
1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide
CID 119315839
2-amino-N-[2-methyl-2-(2-methylphenyl)propyl]-2-phenylacetamide;hydrochloride
CID 119308089
1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119869384
1-amino-N-(2-ethyl-2-phenylbutyl)cyclopentane-1-carboxamide
CID 119337633
1-amino-N-[3-(2-methylphenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317018
1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950
1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119399892

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-methyl-2-(2-methylphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-methyl-2-(2-methylphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride (CID 119308087) is 1-amino-N-[2-methyl-2-(2-methylphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-methyl-2-(2-methylphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-methyl-2-(2-methylphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride is Cc1ccccc1C(C)(C)CNC(=O)C1(N)CCCC1.Cl.
What is the InChIKey of 1-amino-N-[2-methyl-2-(2-methylphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is QCTVSNGNDJLLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-13-8-4-5-9-14(13)16(2,3)12-19-15(20)17(18)10-6-7-11-17;/h4-5,8-9H,6-7,10-12,18H2,1-3H3,(H,19,20);1H.
What are the key properties of 1-amino-N-[2-methyl-2-(2-methylphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[2-methyl-2-(2-methylphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-methyl-2-(2-methylphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119308087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).