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

C13H26N2 — CID 115562266

IUPAC3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N,2-dimethylbutan-1-amine
SMILESCNCC(C)C(C)N1CC2CCCC2C1
InChIInChI=1S/C13H26N2/c1-10(7-14-3)11(2)15-8-12-5-4-6-13(12)9-15/h10-14H,4-9H2,1-3H3
InChIKeyFAELUFAPDWVAQN-UHFFFAOYSA-N
MW210.37 g/mol
LogP1.96
Rot. Bonds4

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

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N,2-dimethylbutan-1-amine (PubChem CID 115562266) 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,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N,2-dimethylbutan-1-amine
PubChem CID115562266
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,2-dimethylbutan-1-amine
SMILESCNCC(C)C(C)N1CC2CCCC2C1
InChIInChI=1S/C13H26N2/c1-10(7-14-3)11(2)15-8-12-5-4-6-13(12)9-15/h10-14H,4-9H2,1-3H3
InChIKeyFAELUFAPDWVAQN-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

N,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine
CID 81206388
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-2-amine
CID 115559633
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methylbutan-1-amine
CID 79409569
N,2-dimethyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 79415038
3-(8-azaspiro[4.5]decan-8-yl)-N,2-dimethylbutan-1-amine
CID 79409713
N,2-dimethyl-3-morpholin-4-ylbutan-1-amine
CID 79414599
3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine
CID 79409074
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)-N-tert-butyl-3-methylbutan-1-amine
CID 115562182
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methylmethanamine
CID 176871843
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
CID 15072780
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-1-amine
CID 115562136

Frequently Asked Questions

What is the IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N,2-dimethylbutan-1-amine (CID 115562266) is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N,2-dimethylbutan-1-amine is CNCC(C)C(C)N1CC2CCCC2C1.
What is the InChIKey of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N,2-dimethylbutan-1-amine?
The InChIKey is FAELUFAPDWVAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(7-14-3)11(2)15-8-12-5-4-6-13(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,2-dimethylbutan-1-amine?
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N,2-dimethylbutan-1-amine has a molecular weight of 210.37 g/mol, XLogP of 1.96, 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,2-dimethylbutan-1-amine is sourced from PubChem (CID 115562266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).