2-[2-[methyl(3-methylbutyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide

C17H35N3O — CID 79564978

IUPAC2-[2-[methyl(3-methylbutyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC1CCN(C)CCC(C)C
InChIInChI=1S/C17H35N3O/c1-5-11-19-17(16(18)21)10-6-7-15(17)9-13-20(4)12-8-14(2)3/h14-15,19H,5-13H2,1-4H3,(H2,18,21)
InChIKeyAETRZZNYMFYWKY-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.38
Rot. Bonds10

About 2-[2-[methyl(3-methylbutyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide

2-[2-[methyl(3-methylbutyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide (PubChem CID 79564978) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-[2-[methyl(3-methylbutyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-[methyl(3-methylbutyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
PubChem CID79564978
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-[2-[methyl(3-methylbutyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC1CCN(C)CCC(C)C
InChIInChI=1S/C17H35N3O/c1-5-11-19-17(16(18)21)10-6-7-15(17)9-13-20(4)12-8-14(2)3/h14-15,19H,5-13H2,1-4H3,(H2,18,21)
InChIKeyAETRZZNYMFYWKY-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79577899
2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79566294
2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79564236
1-(methylamino)-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide
CID 79564710
2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 81044055
2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide
CID 79588009
2-[2-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79581463
2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79564467
2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577889
2-[2-(dipropylamino)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79576868
2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79566081
2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79577892

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(3-methylbutyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-[methyl(3-methylbutyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide (CID 79564978) is 2-[2-[methyl(3-methylbutyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-[methyl(3-methylbutyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-[methyl(3-methylbutyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide is CCCNC1(C(N)=O)CCCC1CCN(C)CCC(C)C.
What is the InChIKey of 2-[2-[methyl(3-methylbutyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide?
The InChIKey is AETRZZNYMFYWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-5-11-19-17(16(18)21)10-6-7-15(17)9-13-20(4)12-8-14(2)3/h14-15,19H,5-13H2,1-4H3,(H2,18,21).
What are the key properties of 2-[2-[methyl(3-methylbutyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide?
2-[2-[methyl(3-methylbutyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide has a molecular weight of 297.49 g/mol, XLogP of 2.38, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(3-methylbutyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79564978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).