3,3a,5,6,8a,8b-hexahydrocyclopenta[b]indol-5-amine

C11H14N2 — CID 91206170

IUPAC3,3a,5,6,8a,8b-hexahydrocyclopenta[b]indol-5-amine
SMILESNC1CC=CC2C1=NC1CC=CC12
InChIInChI=1S/C11H14N2/c12-9-5-1-4-8-7-3-2-6-10(7)13-11(8)9/h1-4,7-10H,5-6,12H2
InChIKeyNACSBAPFRWASIG-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.29
Rot. Bonds

About 3,3a,5,6,8a,8b-hexahydrocyclopenta[b]indol-5-amine

3,3a,5,6,8a,8b-hexahydrocyclopenta[b]indol-5-amine (PubChem CID 91206170) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3,3a,5,6,8a,8b-hexahydrocyclopenta[b]indol-5-amine.

Molecular Properties

Compound Name3,3a,5,6,8a,8b-hexahydrocyclopenta[b]indol-5-amine
PubChem CID91206170
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3,3a,5,6,8a,8b-hexahydrocyclopenta[b]indol-5-amine
SMILESNC1CC=CC2C1=NC1CC=CC12
InChIInChI=1S/C11H14N2/c12-9-5-1-4-8-7-3-2-6-10(7)13-11(8)9/h1-4,7-10H,5-6,12H2
InChIKeyNACSBAPFRWASIG-UHFFFAOYSA-N
XLogP1.29
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3a,4,4a,7,8a,8b-hexahydro-3H-cyclopenta[b]indol-8-imine
CID 91395341
(4aS)-3a,4,4a,5,8a,8b-hexahydro-3H-cyclopenta[b]indol-8-imine
CID 123386392
3a,4,4a,5,8a,8b-hexahydro-3H-cyclopenta[b]indol-8-imine
CID 123702395
(4aS)-3a,4,4a,7,8a,8b-hexahydro-3H-cyclopenta[b]indol-8-imine
CID 123728506
1-[4,5-dimethyl-2-(3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-3-yl]but-2-en-1-imine
CID 123751081
3,4,6,6a,7,8-Hexahydrobenzo[c]indol-7-amine
CID 23983770

Frequently Asked Questions

What is the IUPAC name of 3,3a,5,6,8a,8b-hexahydrocyclopenta[b]indol-5-amine?
The IUPAC name of 3,3a,5,6,8a,8b-hexahydrocyclopenta[b]indol-5-amine (CID 91206170) is 3,3a,5,6,8a,8b-hexahydrocyclopenta[b]indol-5-amine.
What is the SMILES notation for 3,3a,5,6,8a,8b-hexahydrocyclopenta[b]indol-5-amine?
The canonical SMILES for 3,3a,5,6,8a,8b-hexahydrocyclopenta[b]indol-5-amine is NC1CC=CC2C1=NC1CC=CC12.
What is the InChIKey of 3,3a,5,6,8a,8b-hexahydrocyclopenta[b]indol-5-amine?
The InChIKey is NACSBAPFRWASIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c12-9-5-1-4-8-7-3-2-6-10(7)13-11(8)9/h1-4,7-10H,5-6,12H2.
What are the key properties of 3,3a,5,6,8a,8b-hexahydrocyclopenta[b]indol-5-amine?
3,3a,5,6,8a,8b-hexahydrocyclopenta[b]indol-5-amine has a molecular weight of 174.25 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,5,6,8a,8b-hexahydrocyclopenta[b]indol-5-amine is sourced from PubChem (CID 91206170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).