(3S)-3-methyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine

C10H17N — CID 118445547

IUPAC(3S)-3-methyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine
SMILESC[C@H]1CCC2C=CCCN2C1
InChIInChI=1S/C10H17N/c1-9-5-6-10-4-2-3-7-11(10)8-9/h2,4,9-10H,3,5-8H2,1H3/t9-,10?/m0/s1
InChIKeyBALBFIRILRNLSQ-RGURZIINSA-N
MW151.25 g/mol
LogP2.05
Rot. Bonds

About (3S)-3-methyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine

(3S)-3-methyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine (PubChem CID 118445547) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (3S)-3-methyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine.

Molecular Properties

Compound Name(3S)-3-methyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine
PubChem CID118445547
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(3S)-3-methyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine
SMILESC[C@H]1CCC2C=CCCN2C1
InChIInChI=1S/C10H17N/c1-9-5-6-10-4-2-3-7-11(10)8-9/h2,4,9-10H,3,5-8H2,1H3/t9-,10?/m0/s1
InChIKeyBALBFIRILRNLSQ-RGURZIINSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine?
The IUPAC name of (3S)-3-methyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine (CID 118445547) is (3S)-3-methyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine.
What is the SMILES notation for (3S)-3-methyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine?
The canonical SMILES for (3S)-3-methyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine is C[C@H]1CCC2C=CCCN2C1.
What is the InChIKey of (3S)-3-methyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine?
The InChIKey is BALBFIRILRNLSQ-RGURZIINSA-N. The full InChI is InChI=1S/C10H17N/c1-9-5-6-10-4-2-3-7-11(10)8-9/h2,4,9-10H,3,5-8H2,1H3/t9-,10?/m0/s1.
What are the key properties of (3S)-3-methyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine?
(3S)-3-methyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine has a molecular weight of 151.25 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine is sourced from PubChem (CID 118445547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).