2-[2-(N,2-dimethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide

C17H27N3O — CID 79573813

IUPAC2-[2-(N,2-dimethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCN(C)c1ccccc1C
InChIInChI=1S/C17H27N3O/c1-13-7-4-5-9-15(13)20(3)12-10-14-8-6-11-17(14,19-2)16(18)21/h4-5,7,9,14,19H,6,8,10-12H2,1-3H3,(H2,18,21)
InChIKeyYHVRDDQMALNYNJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.06
Rot. Bonds6

About 2-[2-(N,2-dimethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide

2-[2-(N,2-dimethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide (PubChem CID 79573813) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[2-(N,2-dimethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-(N,2-dimethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
PubChem CID79573813
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[2-(N,2-dimethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCN(C)c1ccccc1C
InChIInChI=1S/C17H27N3O/c1-13-7-4-5-9-15(13)20(3)12-10-14-8-6-11-17(14,19-2)16(18)21/h4-5,7,9,14,19H,6,8,10-12H2,1-3H3,(H2,18,21)
InChIKeyYHVRDDQMALNYNJ-UHFFFAOYSA-N
XLogP2.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid
CID 79564083
2-[2-(N-ethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79578049
1-(methylamino)-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide
CID 79564710
1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide
CID 79564144
1-(methylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentane-1-carboxamide
CID 79565147
2-[2-(benzimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79572724
2-[2-(2,6-dimethylphenoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79587310
2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79563801
2-[2-(2-cyclopropylethoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 106204227
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79563722
1-(methylamino)-2-(2-phenoxyethyl)cyclopentane-1-carboxylic acid
CID 79587207
2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79564232

Frequently Asked Questions

What is the IUPAC name of 2-[2-(N,2-dimethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-(N,2-dimethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide (CID 79573813) is 2-[2-(N,2-dimethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-(N,2-dimethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-(N,2-dimethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide is CNC1(C(N)=O)CCCC1CCN(C)c1ccccc1C.
What is the InChIKey of 2-[2-(N,2-dimethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The InChIKey is YHVRDDQMALNYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-7-4-5-9-15(13)20(3)12-10-14-8-6-11-17(14,19-2)16(18)21/h4-5,7,9,14,19H,6,8,10-12H2,1-3H3,(H2,18,21).
What are the key properties of 2-[2-(N,2-dimethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
2-[2-(N,2-dimethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N,2-dimethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79573813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).