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

C13H17ClN2 — CID 105498620

IUPAC10-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine
SMILESNC1CCCC2CCc3cccc(Cl)c3N12
InChIInChI=1S/C13H17ClN2/c14-11-5-1-3-9-7-8-10-4-2-6-12(15)16(10)13(9)11/h1,3,5,10,12H,2,4,6-8,15H2
InChIKeyUFLGGPWFLZTAKT-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.93
Rot. Bonds

About 10-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine

10-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine (PubChem CID 105498620) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 10-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine.

Molecular Properties

Compound Name10-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine
PubChem CID105498620
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name10-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine
SMILESNC1CCCC2CCc3cccc(Cl)c3N12
InChIInChI=1S/C13H17ClN2/c14-11-5-1-3-9-7-8-10-4-2-6-12(15)16(10)13(9)11/h1,3,5,10,12H,2,4,6-8,15H2
InChIKeyUFLGGPWFLZTAKT-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

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine?
The IUPAC name of 10-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine (CID 105498620) is 10-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine.
What is the SMILES notation for 10-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine?
The canonical SMILES for 10-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine is NC1CCCC2CCc3cccc(Cl)c3N12.
What is the InChIKey of 10-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine?
The InChIKey is UFLGGPWFLZTAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c14-11-5-1-3-9-7-8-10-4-2-6-12(15)16(10)13(9)11/h1,3,5,10,12H,2,4,6-8,15H2.
What are the key properties of 10-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine?
10-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 10-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine is sourced from PubChem (CID 105498620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).