3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide

C17H35N3O — CID 79646901

IUPAC3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCCC(CC)CN(CC)C1CCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C17H35N3O/c1-6-14(7-2)12-20(8-3)15-9-10-17(11-15,16(18)21)19-13(4)5/h13-15,19H,6-12H2,1-5H3,(H2,18,21)
InChIKeySVIOXOQSEXSCMO-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.52
Rot. Bonds9

About 3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide

3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide (PubChem CID 79646901) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
PubChem CID79646901
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCCC(CC)CN(CC)C1CCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C17H35N3O/c1-6-14(7-2)12-20(8-3)15-9-10-17(11-15,16(18)21)19-13(4)5/h13-15,19H,6-12H2,1-5H3,(H2,18,21)
InChIKeySVIOXOQSEXSCMO-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxamide
CID 79654785
3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79654805
3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79655077
3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79650513
3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79650033
3-[2-(dimethylamino)ethyl-propylamino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79647875
3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79655524
3-[methyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79650663
1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
CID 79646380
3-[methyl(pentan-3-yl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79636769
3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79654965
3-[methyl(oxan-4-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79655558

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide (CID 79646901) is 3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide is CCC(CC)CN(CC)C1CCC(NC(C)C)(C(N)=O)C1.
What is the InChIKey of 3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The InChIKey is SVIOXOQSEXSCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-6-14(7-2)12-20(8-3)15-9-10-17(11-15,16(18)21)19-13(4)5/h13-15,19H,6-12H2,1-5H3,(H2,18,21).
What are the key properties of 3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide has a molecular weight of 297.49 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79646901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).