1,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;ethane

C15H33N — CID 143770617

IUPAC1,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;ethane
SMILESCC.CC.CC1CCN2CCCC(C)C2C1
InChIInChI=1S/C11H21N.2C2H6/c1-9-5-7-12-6-3-4-10(2)11(12)8-9;2*1-2/h9-11H,3-8H2,1-2H3;2*1-2H3
InChIKeyGWFNRFUCQGJDJQ-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.57
Rot. Bonds

About 1,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;ethane

1,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;ethane (PubChem CID 143770617) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 1,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;ethane.

Molecular Properties

Compound Name1,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;ethane
PubChem CID143770617
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name1,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;ethane
SMILESCC.CC.CC1CCN2CCCC(C)C2C1
InChIInChI=1S/C11H21N.2C2H6/c1-9-5-7-12-6-3-4-10(2)11(12)8-9;2*1-2/h9-11H,3-8H2,1-2H3;2*1-2H3
InChIKeyGWFNRFUCQGJDJQ-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;ethane with MolForge

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Related Compounds

Hippodamine
CID 11217776
(1R,4R,9aS)-1-ethyl-4-(pent-4-ynyl)-octahydro-1H-quinolizine
CID 11183894
(1R,4R,9aS)-1-ethyl-4-hexyl-octahydro-1H-quinolizine
CID 44442623
1-Methyldecahydroquinoline
CID 86057
trans-Decahydro-1-methylquinoline
CID 101889
Quinoline, decahydro-1-methyl-, cis-
CID 23277875
cis-Decahydro-1-methylquinoline
CID 642630
Quinoline, decahydro-1-methyl-, trans-
CID 21629254
2H-Benzo(a)quinolizine, 1,3,4,6,7,7a,8,9,10,11,11a,11b-dodecahydro-6,6-dimethyl-
CID 3056344
Cermizine C
CID 10464697
Precoccinelline
CID 181570
2H-Quinolizine, octahydro-1-[[(trimethylstannyl)thio]methyl]-, (1R,9aR)-
CID 3008667

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;ethane?
The IUPAC name of 1,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;ethane (CID 143770617) is 1,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;ethane.
What is the SMILES notation for 1,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;ethane?
The canonical SMILES for 1,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;ethane is CC.CC.CC1CCN2CCCC(C)C2C1.
What is the InChIKey of 1,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;ethane?
The InChIKey is GWFNRFUCQGJDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.2C2H6/c1-9-5-7-12-6-3-4-10(2)11(12)8-9;2*1-2/h9-11H,3-8H2,1-2H3;2*1-2H3.
What are the key properties of 1,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;ethane?
1,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;ethane has a molecular weight of 227.44 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;ethane is sourced from PubChem (CID 143770617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).