1-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine

C11H22N2 — CID 91095800

IUPAC1-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine
SMILESCC(C)CN1CCC2C(N)CCC21
InChIInChI=1S/C11H22N2/c1-8(2)7-13-6-5-9-10(12)3-4-11(9)13/h8-11H,3-7,12H2,1-2H3
InChIKeyLTDFAKPZKXYOEJ-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.45
Rot. Bonds2

About 1-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine

1-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine (PubChem CID 91095800) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine
PubChem CID91095800
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine
SMILESCC(C)CN1CCC2C(N)CCC21
InChIInChI=1S/C11H22N2/c1-8(2)7-13-6-5-9-10(12)3-4-11(9)13/h8-11H,3-7,12H2,1-2H3
InChIKeyLTDFAKPZKXYOEJ-UHFFFAOYSA-N
XLogP1.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine?
The IUPAC name of 1-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine (CID 91095800) is 1-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine is CC(C)CN1CCC2C(N)CCC21.
What is the InChIKey of 1-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine?
The InChIKey is LTDFAKPZKXYOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)7-13-6-5-9-10(12)3-4-11(9)13/h8-11H,3-7,12H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine?
1-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine has a molecular weight of 182.31 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine is sourced from PubChem (CID 91095800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).