9-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine

C13H17ClN2 — CID 105498616

IUPAC9-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine
SMILESNC1CCCC2CCc3ccc(Cl)cc3N12
InChIInChI=1S/C13H17ClN2/c14-10-6-4-9-5-7-11-2-1-3-13(15)16(11)12(9)8-10/h4,6,8,11,13H,1-3,5,7,15H2
InChIKeyDHIPEIXDIXAZKQ-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.93
Rot. Bonds

About 9-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine

9-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine (PubChem CID 105498616) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 9-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine.

Molecular Properties

Compound Name9-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine
PubChem CID105498616
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name9-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine
SMILESNC1CCCC2CCc3ccc(Cl)cc3N12
InChIInChI=1S/C13H17ClN2/c14-10-6-4-9-5-7-11-2-1-3-13(15)16(11)12(9)8-10/h4,6,8,11,13H,1-3,5,7,15H2
InChIKeyDHIPEIXDIXAZKQ-UHFFFAOYSA-N
XLogP2.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-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 9-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine?
The IUPAC name of 9-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine (CID 105498616) is 9-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine.
What is the SMILES notation for 9-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine?
The canonical SMILES for 9-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine is NC1CCCC2CCc3ccc(Cl)cc3N12.
What is the InChIKey of 9-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine?
The InChIKey is DHIPEIXDIXAZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c14-10-6-4-9-5-7-11-2-1-3-13(15)16(11)12(9)8-10/h4,6,8,11,13H,1-3,5,7,15H2.
What are the key properties of 9-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine?
9-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine has a molecular weight of 236.75 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine is sourced from PubChem (CID 105498616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).