(1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

C14H27N — CID 134860293

IUPAC(1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESCCC[C@H]1[C@@H](C)C[C@H](C)[C@H]2CCCCN21
InChIInChI=1S/C14H27N/c1-4-7-13-11(2)10-12(3)14-8-5-6-9-15(13)14/h11-14H,4-10H2,1-3H3/t11-,12-,13-,14+/m0/s1
InChIKeyKTERMWULDQLWRV-XDQVBPFNSA-N
MW209.38 g/mol
LogP3.69
Rot. Bonds2

About (1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

(1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (PubChem CID 134860293) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.

Molecular Properties

Compound Name(1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
PubChem CID134860293
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESCCC[C@H]1[C@@H](C)C[C@H](C)[C@H]2CCCCN21
InChIInChI=1S/C14H27N/c1-4-7-13-11(2)10-12(3)14-8-5-6-9-15(13)14/h11-14H,4-10H2,1-3H3/t11-,12-,13-,14+/m0/s1
InChIKeyKTERMWULDQLWRV-XDQVBPFNSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine with MolForge

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Related Compounds

(5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 44597339
(5R,6S,8R,8aS)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10609151
3-methyl-2-propylazepan-1-amine
CID 145095479
2-(2-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 83061636
2-(6-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol
CID 91735954
trans-(1R,2R)-2-(2-propylpiperidin-1-yl)cyclopentan-1-ol
CID 102734913
(2S)-1-cyclopentyl-2-propylpiperidine
CID 170635716
[1-(2,5-dimethylcyclohexyl)piperidin-2-yl]methanamine
CID 64756399
2-(2-ethylazepan-1-yl)-4-methylcyclohexan-1-amine
CID 113441638
N-propyl-2-(2-propylpiperidin-1-yl)cyclohexan-1-amine
CID 83053052
[(5R,6S,7S,8S,8aS)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl] methanesulfonate
CID 102353435
(7R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane
CID 101138432

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The IUPAC name of (1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (CID 134860293) is (1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.
What is the SMILES notation for (1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The canonical SMILES for (1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is CCC[C@H]1[C@@H](C)C[C@H](C)[C@H]2CCCCN21.
What is the InChIKey of (1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The InChIKey is KTERMWULDQLWRV-XDQVBPFNSA-N. The full InChI is InChI=1S/C14H27N/c1-4-7-13-11(2)10-12(3)14-8-5-6-9-15(13)14/h11-14H,4-10H2,1-3H3/t11-,12-,13-,14+/m0/s1.
What are the key properties of (1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
(1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine has a molecular weight of 209.38 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is sourced from PubChem (CID 134860293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).