(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine

C16H24N4 — CID 175449167

IUPAC(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine
SMILESNCCN.c1cc2c3c(c[nH]c3c1)C[C@H]1NCCC[C@H]21
InChIInChI=1S/C14H16N2.C2H8N2/c1-3-11-10-4-2-6-15-13(10)7-9-8-16-12(5-1)14(9)11;3-1-2-4/h1,3,5,8,10,13,15-16H,2,4,6-7H2;1-4H2/t10-,13-;/m1./s1
InChIKeyGOHZFSCDAKPMGR-HTMVYDOJSA-N
MW272.40 g/mol
LogP1.46
Rot. Bonds1

About (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine

(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine (PubChem CID 175449167) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine.

Molecular Properties

Compound Name(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine
PubChem CID175449167
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine
SMILESNCCN.c1cc2c3c(c[nH]c3c1)C[C@H]1NCCC[C@H]21
InChIInChI=1S/C14H16N2.C2H8N2/c1-3-11-10-4-2-6-15-13(10)7-9-8-16-12(5-1)14(9)11;3-1-2-4/h1,3,5,8,10,13,15-16H,2,4,6-7H2;1-4H2/t10-,13-;/m1./s1
InChIKeyGOHZFSCDAKPMGR-HTMVYDOJSA-N
XLogP1.46
TPSA79.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine 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 (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine?
The IUPAC name of (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine (CID 175449167) is (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine.
What is the SMILES notation for (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine?
The canonical SMILES for (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine is NCCN.c1cc2c3c(c[nH]c3c1)C[C@H]1NCCC[C@H]21.
What is the InChIKey of (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine?
The InChIKey is GOHZFSCDAKPMGR-HTMVYDOJSA-N. The full InChI is InChI=1S/C14H16N2.C2H8N2/c1-3-11-10-4-2-6-15-13(10)7-9-8-16-12(5-1)14(9)11;3-1-2-4/h1,3,5,8,10,13,15-16H,2,4,6-7H2;1-4H2/t10-,13-;/m1./s1.
What are the key properties of (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine?
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine has a molecular weight of 272.40 g/mol, XLogP of 1.46, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine is sourced from PubChem (CID 175449167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).