3-(1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-1-yl)propan-1-amine

C18H25N3 — CID 70546231

IUPAC3-(1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-1-yl)propan-1-amine
SMILESNCCCC1CCCN2CCC3C(=C12)N=C1C=CC=CC13
InChIInChI=1S/C18H25N3/c19-10-3-5-13-6-4-11-21-12-9-15-14-7-1-2-8-16(14)20-17(15)18(13)21/h1-2,7-8,13-15H,3-6,9-12,19H2
InChIKeyYDSPZQNKABLNJR-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.87
Rot. Bonds3

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

3-(1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-1-yl)propan-1-amine (PubChem CID 70546231) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-(1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-1-yl)propan-1-amine
PubChem CID70546231
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name3-(1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-1-yl)propan-1-amine
SMILESNCCCC1CCCN2CCC3C(=C12)N=C1C=CC=CC13
InChIInChI=1S/C18H25N3/c19-10-3-5-13-6-4-11-21-12-9-15-14-7-1-2-8-16(14)20-17(15)18(13)21/h1-2,7-8,13-15H,3-6,9-12,19H2
InChIKeyYDSPZQNKABLNJR-UHFFFAOYSA-N
XLogP2.87
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-1-yl)propan-1-amine?
The IUPAC name of 3-(1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-1-yl)propan-1-amine (CID 70546231) is 3-(1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-1-yl)propan-1-amine?
The canonical SMILES for 3-(1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-1-yl)propan-1-amine is NCCCC1CCCN2CCC3C(=C12)N=C1C=CC=CC13.
What is the InChIKey of 3-(1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-1-yl)propan-1-amine?
The InChIKey is YDSPZQNKABLNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c19-10-3-5-13-6-4-11-21-12-9-15-14-7-1-2-8-16(14)20-17(15)18(13)21/h1-2,7-8,13-15H,3-6,9-12,19H2.
What are the key properties of 3-(1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-1-yl)propan-1-amine?
3-(1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-1-yl)propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizin-1-yl)propan-1-amine is sourced from PubChem (CID 70546231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).