1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide

C16H25N3O — CID 79564155

IUPAC1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide
SMILESCc1cccc(N(C)CCC2CCCC2(N)C(N)=O)c1
InChIInChI=1S/C16H25N3O/c1-12-5-3-7-14(11-12)19(2)10-8-13-6-4-9-16(13,18)15(17)20/h3,5,7,11,13H,4,6,8-10,18H2,1-2H3,(H2,17,20)
InChIKeyQDZCVZUKIWJFHN-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.80
Rot. Bonds5

About 1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide

1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide (PubChem CID 79564155) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide
PubChem CID79564155
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide
SMILESCc1cccc(N(C)CCC2CCCC2(N)C(N)=O)c1
InChIInChI=1S/C16H25N3O/c1-12-5-3-7-14(11-12)19(2)10-8-13-6-4-9-16(13,18)15(17)20/h3,5,7,11,13H,4,6,8-10,18H2,1-2H3,(H2,17,20)
InChIKeyQDZCVZUKIWJFHN-UHFFFAOYSA-N
XLogP1.80
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(N,3-dimethylanilino)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79571424
1-amino-2-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 79586482
methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate
CID 79572538
2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol
CID 79564547
1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid
CID 79564083
2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one
CID 79570431
1-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxamide
CID 79577891
1-amino-2-[2-(N-ethyl-2-fluoroanilino)ethyl]cyclopentane-1-carboxamide
CID 79572541
1-cyclopentyl-2-(N,3-dimethylanilino)ethanone
CID 104750297
N-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline
CID 62616722
1-amino-2-[2-[3-(dimethylamino)propyl-methylamino]ethyl]cyclopentane-1-carboxamide
CID 79564237
1-[(N,3-dimethylanilino)methyl]cyclohexane-1-carboxylic acid
CID 55055217

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide (CID 79564155) is 1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide is Cc1cccc(N(C)CCC2CCCC2(N)C(N)=O)c1.
What is the InChIKey of 1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide?
The InChIKey is QDZCVZUKIWJFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-5-3-7-14(11-12)19(2)10-8-13-6-4-9-16(13,18)15(17)20/h3,5,7,11,13H,4,6,8-10,18H2,1-2H3,(H2,17,20).
What are the key properties of 1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide?
1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79564155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).