6-(1,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl)-N-methylhexan-1-amine

C18H36N2 — CID 72679036

IUPAC6-(1,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl)-N-methylhexan-1-amine
SMILESCNCCCCCCC1CC(C)CC2C1CCCN2C
InChIInChI=1S/C18H36N2/c1-15-13-16(9-6-4-5-7-11-19-2)17-10-8-12-20(3)18(17)14-15/h15-19H,4-14H2,1-3H3
InChIKeyPXLGYRRGHHBLMW-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds7

About 6-(1,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl)-N-methylhexan-1-amine

6-(1,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl)-N-methylhexan-1-amine (PubChem CID 72679036) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 6-(1,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name6-(1,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl)-N-methylhexan-1-amine
PubChem CID72679036
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name6-(1,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl)-N-methylhexan-1-amine
SMILESCNCCCCCCC1CC(C)CC2C1CCCN2C
InChIInChI=1S/C18H36N2/c1-15-13-16(9-6-4-5-7-11-19-2)17-10-8-12-20(3)18(17)14-15/h15-19H,4-14H2,1-3H3
InChIKeyPXLGYRRGHHBLMW-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl)-N-methylhexan-1-amine?
The IUPAC name of 6-(1,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl)-N-methylhexan-1-amine (CID 72679036) is 6-(1,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl)-N-methylhexan-1-amine.
What is the SMILES notation for 6-(1,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl)-N-methylhexan-1-amine?
The canonical SMILES for 6-(1,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl)-N-methylhexan-1-amine is CNCCCCCCC1CC(C)CC2C1CCCN2C.
What is the InChIKey of 6-(1,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl)-N-methylhexan-1-amine?
The InChIKey is PXLGYRRGHHBLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-15-13-16(9-6-4-5-7-11-19-2)17-10-8-12-20(3)18(17)14-15/h15-19H,4-14H2,1-3H3.
What are the key properties of 6-(1,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl)-N-methylhexan-1-amine?
6-(1,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl)-N-methylhexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl)-N-methylhexan-1-amine is sourced from PubChem (CID 72679036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).