6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methylhexan-1-amine

C15H30N2 — CID 82750292

IUPAC6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methylhexan-1-amine
SMILESCC(CCN)CCCN1CCC2CCCCC21
InChIInChI=1S/C15H30N2/c1-13(8-10-16)5-4-11-17-12-9-14-6-2-3-7-15(14)17/h13-15H,2-12,16H2,1H3
InChIKeyWGDZRDBXOHBYBW-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.02
Rot. Bonds6

About 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methylhexan-1-amine

6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methylhexan-1-amine (PubChem CID 82750292) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methylhexan-1-amine.

Molecular Properties

Compound Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methylhexan-1-amine
PubChem CID82750292
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methylhexan-1-amine
SMILESCC(CCN)CCCN1CCC2CCCCC21
InChIInChI=1S/C15H30N2/c1-13(8-10-16)5-4-11-17-12-9-14-6-2-3-7-15(14)17/h13-15H,2-12,16H2,1H3
InChIKeyWGDZRDBXOHBYBW-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methylhexan-1-amine?
The IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methylhexan-1-amine (CID 82750292) is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methylhexan-1-amine.
What is the SMILES notation for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methylhexan-1-amine?
The canonical SMILES for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methylhexan-1-amine is CC(CCN)CCCN1CCC2CCCCC21.
What is the InChIKey of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methylhexan-1-amine?
The InChIKey is WGDZRDBXOHBYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-13(8-10-16)5-4-11-17-12-9-14-6-2-3-7-15(14)17/h13-15H,2-12,16H2,1H3.
What are the key properties of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methylhexan-1-amine?
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methylhexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methylhexan-1-amine is sourced from PubChem (CID 82750292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).