4-methyl-6-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

C13H25N — CID 75581377

IUPAC4-methyl-6-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESCCCC1CCCC2CCCC(C)N12
InChIInChI=1S/C13H25N/c1-3-6-12-9-5-10-13-8-4-7-11(2)14(12)13/h11-13H,3-10H2,1-2H3
InChIKeyXWIGNCVWEVRDAL-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.58
Rot. Bonds2

About 4-methyl-6-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

4-methyl-6-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (PubChem CID 75581377) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4-methyl-6-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.

Molecular Properties

Compound Name4-methyl-6-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
PubChem CID75581377
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4-methyl-6-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESCCCC1CCCC2CCCC(C)N12
InChIInChI=1S/C13H25N/c1-3-6-12-9-5-10-13-8-4-7-11(2)14(12)13/h11-13H,3-10H2,1-2H3
InChIKeyXWIGNCVWEVRDAL-UHFFFAOYSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The IUPAC name of 4-methyl-6-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (CID 75581377) is 4-methyl-6-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.
What is the SMILES notation for 4-methyl-6-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The canonical SMILES for 4-methyl-6-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is CCCC1CCCC2CCCC(C)N12.
What is the InChIKey of 4-methyl-6-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The InChIKey is XWIGNCVWEVRDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-3-6-12-9-5-10-13-8-4-7-11(2)14(12)13/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-methyl-6-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
4-methyl-6-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine has a molecular weight of 195.35 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is sourced from PubChem (CID 75581377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).