2,3,4,6,7,7a-hexahydro-1H-benzo[a]quinolizin-2-amine

C13H18N2 — CID 69349422

IUPAC2,3,4,6,7,7a-hexahydro-1H-benzo[a]quinolizin-2-amine
SMILESNC1CCN2CCC3C=CC=CC3=C2C1
InChIInChI=1S/C13H18N2/c14-11-6-8-15-7-5-10-3-1-2-4-12(10)13(15)9-11/h1-4,10-11H,5-9,14H2
InChIKeyPCRPNVIXJOBERL-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.81
Rot. Bonds

About 2,3,4,6,7,7a-hexahydro-1H-benzo[a]quinolizin-2-amine

2,3,4,6,7,7a-hexahydro-1H-benzo[a]quinolizin-2-amine (PubChem CID 69349422) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2,3,4,6,7,7a-hexahydro-1H-benzo[a]quinolizin-2-amine.

Molecular Properties

Compound Name2,3,4,6,7,7a-hexahydro-1H-benzo[a]quinolizin-2-amine
PubChem CID69349422
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2,3,4,6,7,7a-hexahydro-1H-benzo[a]quinolizin-2-amine
SMILESNC1CCN2CCC3C=CC=CC3=C2C1
InChIInChI=1S/C13H18N2/c14-11-6-8-15-7-5-10-3-1-2-4-12(10)13(15)9-11/h1-4,10-11H,5-9,14H2
InChIKeyPCRPNVIXJOBERL-UHFFFAOYSA-N
XLogP1.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,4,6,7,7a-hexahydro-1H-benzo[a]quinolizin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,7a-hexahydro-1H-benzo[a]quinolizin-2-amine?
The IUPAC name of 2,3,4,6,7,7a-hexahydro-1H-benzo[a]quinolizin-2-amine (CID 69349422) is 2,3,4,6,7,7a-hexahydro-1H-benzo[a]quinolizin-2-amine.
What is the SMILES notation for 2,3,4,6,7,7a-hexahydro-1H-benzo[a]quinolizin-2-amine?
The canonical SMILES for 2,3,4,6,7,7a-hexahydro-1H-benzo[a]quinolizin-2-amine is NC1CCN2CCC3C=CC=CC3=C2C1.
What is the InChIKey of 2,3,4,6,7,7a-hexahydro-1H-benzo[a]quinolizin-2-amine?
The InChIKey is PCRPNVIXJOBERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c14-11-6-8-15-7-5-10-3-1-2-4-12(10)13(15)9-11/h1-4,10-11H,5-9,14H2.
What are the key properties of 2,3,4,6,7,7a-hexahydro-1H-benzo[a]quinolizin-2-amine?
2,3,4,6,7,7a-hexahydro-1H-benzo[a]quinolizin-2-amine has a molecular weight of 202.30 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,7a-hexahydro-1H-benzo[a]quinolizin-2-amine is sourced from PubChem (CID 69349422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).