2-butyl-7-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

C19H29N — CID 54337398

IUPAC2-butyl-7-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESCCCCC1CCN2CC(c3ccccc3)CCC2C1
InChIInChI=1S/C19H29N/c1-2-3-7-16-12-13-20-15-18(10-11-19(20)14-16)17-8-5-4-6-9-17/h4-6,8-9,16,18-19H,2-3,7,10-15H2,1H3
InChIKeyOQZHEWHHEBEKCI-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.83
Rot. Bonds4

About 2-butyl-7-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

2-butyl-7-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (PubChem CID 54337398) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-butyl-7-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.

Molecular Properties

Compound Name2-butyl-7-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
PubChem CID54337398
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name2-butyl-7-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESCCCCC1CCN2CC(c3ccccc3)CCC2C1
InChIInChI=1S/C19H29N/c1-2-3-7-16-12-13-20-15-18(10-11-19(20)14-16)17-8-5-4-6-9-17/h4-6,8-9,16,18-19H,2-3,7,10-15H2,1H3
InChIKeyOQZHEWHHEBEKCI-UHFFFAOYSA-N
XLogP4.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine
CID 79617835
(3S)-1-cyclopentyl-3-phenylpyrrolidine
CID 97327940
2-heptyl-6-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384134
(4aR,6R,8aR)-2-hexyl-6-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809581
1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990
(2-butyl-7-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl) acetate;hydrochloride
CID 20533457
2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451069
(2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451070
3-methyl-5-(3-phenylpyrrolidin-1-yl)piperidine
CID 115373475
(4-propylcyclohexyl)benzene
CID 155887669
[(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol
CID 26458344
1-cyclopropyl-N-ethyl-5-phenylpiperidin-3-amine
CID 83990517

Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The IUPAC name of 2-butyl-7-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (CID 54337398) is 2-butyl-7-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.
What is the SMILES notation for 2-butyl-7-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The canonical SMILES for 2-butyl-7-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is CCCCC1CCN2CC(c3ccccc3)CCC2C1.
What is the InChIKey of 2-butyl-7-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The InChIKey is OQZHEWHHEBEKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-2-3-7-16-12-13-20-15-18(10-11-19(20)14-16)17-8-5-4-6-9-17/h4-6,8-9,16,18-19H,2-3,7,10-15H2,1H3.
What are the key properties of 2-butyl-7-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
2-butyl-7-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine has a molecular weight of 271.45 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is sourced from PubChem (CID 54337398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).