2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

C15H29N — CID 58450035

IUPAC2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESCC(C)C1CC2CCCCN2CC1C(C)C
InChIInChI=1S/C15H29N/c1-11(2)14-9-13-7-5-6-8-16(13)10-15(14)12(3)4/h11-15H,5-10H2,1-4H3
InChIKeyWZFATVOHTNDCJF-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.79
Rot. Bonds2

About 2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (PubChem CID 58450035) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
PubChem CID58450035
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESCC(C)C1CC2CCCCN2CC1C(C)C
InChIInChI=1S/C15H29N/c1-11(2)14-9-13-7-5-6-8-16(13)10-15(14)12(3)4/h11-15H,5-10H2,1-4H3
InChIKeyWZFATVOHTNDCJF-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 59036114
(3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine
CID 134195528
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)propan-1-amine
CID 83906713
2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79914133
N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-amine
CID 165477844
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-2-carbothioamide
CID 18941091
1-cycloheptyl-3-propan-2-ylpiperidine
CID 163393179
1-azabicyclo[9.1.0]dodecane
CID 87228787
4-propan-2-yl-1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-d][1,4]diazepine
CID 83879978
(3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine
CID 134195627
2-(oxan-4-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926070
2-(dicyclopropylmethyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79915707

Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The IUPAC name of 2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (CID 58450035) is 2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.
What is the SMILES notation for 2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The canonical SMILES for 2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is CC(C)C1CC2CCCCN2CC1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The InChIKey is WZFATVOHTNDCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-11(2)14-9-13-7-5-6-8-16(13)10-15(14)12(3)4/h11-15H,5-10H2,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine has a molecular weight of 223.40 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is sourced from PubChem (CID 58450035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).