2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[b]indol-4-amine

C11H20N2 — CID 90785164

IUPAC2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[b]indol-4-amine
SMILESNN1C2CCCCC2C2CCCC21
InChIInChI=1S/C11H20N2/c12-13-10-6-2-1-4-8(10)9-5-3-7-11(9)13/h8-11H,1-7,12H2
InChIKeyAXJVHWBTTSQENH-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.90
Rot. Bonds

About 2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[b]indol-4-amine

2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[b]indol-4-amine (PubChem CID 90785164) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[b]indol-4-amine.

Molecular Properties

Compound Name2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[b]indol-4-amine
PubChem CID90785164
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[b]indol-4-amine
SMILESNN1C2CCCCC2C2CCCC21
InChIInChI=1S/C11H20N2/c12-13-10-6-2-1-4-8(10)9-5-3-7-11(9)13/h8-11H,1-7,12H2
InChIKeyAXJVHWBTTSQENH-UHFFFAOYSA-N
XLogP1.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[b]indol-4-amine?
The IUPAC name of 2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[b]indol-4-amine (CID 90785164) is 2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[b]indol-4-amine.
What is the SMILES notation for 2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[b]indol-4-amine?
The canonical SMILES for 2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[b]indol-4-amine is NN1C2CCCCC2C2CCCC21.
What is the InChIKey of 2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[b]indol-4-amine?
The InChIKey is AXJVHWBTTSQENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c12-13-10-6-2-1-4-8(10)9-5-3-7-11(9)13/h8-11H,1-7,12H2.
What are the key properties of 2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[b]indol-4-amine?
2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[b]indol-4-amine has a molecular weight of 180.29 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[b]indol-4-amine is sourced from PubChem (CID 90785164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).