3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-2-amine

C13H26N2 — CID 115559633

IUPAC3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-2-amine
SMILESCCNC(C)C(C)N1CC2CCCC2C1
InChIInChI=1S/C13H26N2/c1-4-14-10(2)11(3)15-8-12-6-5-7-13(12)9-15/h10-14H,4-9H2,1-3H3
InChIKeyWWKOBVQPVQOVQW-UHFFFAOYSA-N
MW210.37 g/mol
LogP2.10
Rot. Bonds4

About 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-2-amine

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-2-amine (PubChem CID 115559633) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-2-amine
PubChem CID115559633
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-2-amine
SMILESCCNC(C)C(C)N1CC2CCCC2C1
InChIInChI=1S/C13H26N2/c1-4-14-10(2)11(3)15-8-12-6-5-7-13(12)9-15/h10-14H,4-9H2,1-3H3
InChIKeyWWKOBVQPVQOVQW-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N,2-dimethylbutan-1-amine
CID 115562266
N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine
CID 64569697
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-1-amine
CID 115562136
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methylbutanoate
CID 115560448
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
CID 15072780
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]pentan-3-amine
CID 115562338
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-3-methylbutan-2-amine
CID 115562332
ethane;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 159480431
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-methylphenyl)propan-1-ol
CID 115561355
N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)butan-2-amine
CID 83228255
3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-2-amine
CID 55165460
1-cyclopentyl-N-ethylethanamine
CID 60819244

Frequently Asked Questions

What is the IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-2-amine?
The IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-2-amine (CID 115559633) is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-2-amine.
What is the SMILES notation for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-2-amine?
The canonical SMILES for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-2-amine is CCNC(C)C(C)N1CC2CCCC2C1.
What is the InChIKey of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-2-amine?
The InChIKey is WWKOBVQPVQOVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-14-10(2)11(3)15-8-12-6-5-7-13(12)9-15/h10-14H,4-9H2,1-3H3.
What are the key properties of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-2-amine?
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-2-amine has a molecular weight of 210.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-2-amine is sourced from PubChem (CID 115559633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).