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

C15H31N3O — CID 79654785

IUPAC3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCCC(CC)CN(CC)C1CCC(NC)(C(N)=O)C1
InChIInChI=1S/C15H31N3O/c1-5-12(6-2)11-18(7-3)13-8-9-15(10-13,17-4)14(16)19/h12-13,17H,5-11H2,1-4H3,(H2,16,19)
InChIKeyPPVLMHMYXFQMJO-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds8

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

3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxamide (PubChem CID 79654785) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxamide
PubChem CID79654785
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCCC(CC)CN(CC)C1CCC(NC)(C(N)=O)C1
InChIInChI=1S/C15H31N3O/c1-5-12(6-2)11-18(7-3)13-8-9-15(10-13,17-4)14(16)19/h12-13,17H,5-11H2,1-4H3,(H2,16,19)
InChIKeyPPVLMHMYXFQMJO-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79655077
3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79646901
3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide
CID 79636529
3-[ethyl(2-methylpropyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79650513
1-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
CID 79634123
3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79654805
3-amino-1-(methylamino)cyclopentane-1-carboxamide
CID 23523618
3-[bis(cyclopropylmethyl)amino]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79650869
1-amino-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxamide
CID 79649570
3-(dipropylamino)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79650183
1-(methylamino)-3-[methyl(pentan-3-yl)amino]cyclopentane-1-carboxylic acid
CID 79654676
ethyl 3-[bis(cyclopropylmethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79645182

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxamide (CID 79654785) is 3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxamide is CCC(CC)CN(CC)C1CCC(NC)(C(N)=O)C1.
What is the InChIKey of 3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxamide?
The InChIKey is PPVLMHMYXFQMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-12(6-2)11-18(7-3)13-8-9-15(10-13,17-4)14(16)19/h12-13,17H,5-11H2,1-4H3,(H2,16,19).
What are the key properties of 3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxamide?
3-[ethyl(2-ethylbutyl)amino]-1-(methylamino)cyclopentane-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 8 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-(methylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79654785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).