1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-2-amine

C15H19N3 — CID 70598546

IUPAC1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-2-amine
SMILESNC1CCN2CCC3C(=C2C1)N=C1C=CC=CC13
InChIInChI=1S/C15H19N3/c16-10-5-7-18-8-6-12-11-3-1-2-4-13(11)17-15(12)14(18)9-10/h1-4,10-12H,5-9,16H2
InChIKeyKSFXCFHHSRECHU-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.84
Rot. Bonds

About 1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-2-amine

1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-2-amine (PubChem CID 70598546) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-2-amine.

Molecular Properties

Compound Name1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-2-amine
PubChem CID70598546
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-2-amine
SMILESNC1CCN2CCC3C(=C2C1)N=C1C=CC=CC13
InChIInChI=1S/C15H19N3/c16-10-5-7-18-8-6-12-11-3-1-2-4-13(11)17-15(12)14(18)9-10/h1-4,10-12H,5-9,16H2
InChIKeyKSFXCFHHSRECHU-UHFFFAOYSA-N
XLogP1.84
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-2-amine?
The IUPAC name of 1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-2-amine (CID 70598546) is 1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-2-amine.
What is the SMILES notation for 1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-2-amine?
The canonical SMILES for 1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-2-amine is NC1CCN2CCC3C(=C2C1)N=C1C=CC=CC13.
What is the InChIKey of 1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-2-amine?
The InChIKey is KSFXCFHHSRECHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-10-5-7-18-8-6-12-11-3-1-2-4-13(11)17-15(12)14(18)9-10/h1-4,10-12H,5-9,16H2.
What are the key properties of 1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-2-amine?
1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-2-amine has a molecular weight of 241.34 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-2-amine is sourced from PubChem (CID 70598546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).