(4R,9aS)-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

C10H19N — CID 15923316

IUPAC(4R,9aS)-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESC[C@@H]1CCC[C@@H]2CCCCN21
InChIInChI=1S/C10H19N/c1-9-5-4-7-10-6-2-3-8-11(9)10/h9-10H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyNVAZQVKYKZTHQP-ZJUUUORDSA-N
MW153.27 g/mol
LogP2.41
Rot. Bonds

About (4R,9aS)-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

(4R,9aS)-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (PubChem CID 15923316) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (4R,9aS)-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.

Molecular Properties

Compound Name(4R,9aS)-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
PubChem CID15923316
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(4R,9aS)-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESC[C@@H]1CCC[C@@H]2CCCCN21
InChIInChI=1S/C10H19N/c1-9-5-4-7-10-6-2-3-8-11(9)10/h9-10H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyNVAZQVKYKZTHQP-ZJUUUORDSA-N
XLogP2.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Quinolizidine
CID 119036
(2R)-1-methyl-2-(2-piperidin-1-ylethyl)piperidine
CID 3246106
1-Methyl-2-[2-(1-piperidinyl)ethyl]piperidine
CID 410260
9-Azabicyclo(3.3.1)nonane, 9-methyl-
CID 136318
Cermizine C
CID 10464697
quinolizidine N-oxide
CID 101412417
(4s,9As)-4-methyl-octahydro-quinolizine
CID 12088180
Octahydro-3-methyl-2H-quinolizine
CID 3729587
(1R,9aS)-1-Methyloctahydro-2H-quinolizine
CID 26787623
4-Methylquinolizidine
CID 3754655
Ctk2A2912
CID 12088182
(4S,6R,9aR)-4-Methyl-6-propyloctahydro-1H-quinolizine
CID 75581377

Frequently Asked Questions

What is the IUPAC name of (4R,9aS)-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The IUPAC name of (4R,9aS)-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (CID 15923316) is (4R,9aS)-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.
What is the SMILES notation for (4R,9aS)-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The canonical SMILES for (4R,9aS)-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is C[C@@H]1CCC[C@@H]2CCCCN21.
What is the InChIKey of (4R,9aS)-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The InChIKey is NVAZQVKYKZTHQP-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19N/c1-9-5-4-7-10-6-2-3-8-11(9)10/h9-10H,2-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of (4R,9aS)-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
(4R,9aS)-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine has a molecular weight of 153.27 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,9aS)-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is sourced from PubChem (CID 15923316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).