[(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methanamine

C15H19N3 — CID 70167957

IUPAC[(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methanamine
SMILESNC[C@H]1CN[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1
InChIInChI=1S/C15H19N3/c16-6-9-4-12-11-2-1-3-13-15(11)10(8-18-13)5-14(12)17-7-9/h1-3,8-9,12,14,17-18H,4-7,16H2/t9-,12+,14+/m0/s1
InChIKeyODTCIYCTILPXFR-MRCXROJRSA-N
MW241.34 g/mol
LogP1.74
Rot. Bonds1

About [(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methanamine

[(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methanamine (PubChem CID 70167957) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is [(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methanamine.

Molecular Properties

Compound Name[(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methanamine
PubChem CID70167957
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name[(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methanamine
SMILESNC[C@H]1CN[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1
InChIInChI=1S/C15H19N3/c16-6-9-4-12-11-2-1-3-13-15(11)10(8-18-13)5-14(12)17-7-9/h1-3,8-9,12,14,17-18H,4-7,16H2/t9-,12+,14+/m0/s1
InChIKeyODTCIYCTILPXFR-MRCXROJRSA-N
XLogP1.74
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methanamine?
The IUPAC name of [(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methanamine (CID 70167957) is [(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methanamine.
What is the SMILES notation for [(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methanamine?
The canonical SMILES for [(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methanamine is NC[C@H]1CN[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1.
What is the InChIKey of [(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methanamine?
The InChIKey is ODTCIYCTILPXFR-MRCXROJRSA-N. The full InChI is InChI=1S/C15H19N3/c16-6-9-4-12-11-2-1-3-13-15(11)10(8-18-13)5-14(12)17-7-9/h1-3,8-9,12,14,17-18H,4-7,16H2/t9-,12+,14+/m0/s1.
What are the key properties of [(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methanamine?
[(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methanamine has a molecular weight of 241.34 g/mol, XLogP of 1.74, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methanamine is sourced from PubChem (CID 70167957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).