(3Z)-1-methyl-3-(2-methylpentylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol

C16H29NO — CID 91698504

IUPAC(3Z)-1-methyl-3-(2-methylpentylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol
SMILESCCCC(C)/C=C1\CN2CCCCC2C(C)(O)C1
InChIInChI=1S/C16H29NO/c1-4-7-13(2)10-14-11-16(3,18)15-8-5-6-9-17(15)12-14/h10,13,15,18H,4-9,11-12H2,1-3H3/b14-10-
InChIKeyWFUPMTAQPDQFEH-UVTDQMKNSA-N
MW251.41 g/mol
LogP3.36
Rot. Bonds3

About (3Z)-1-methyl-3-(2-methylpentylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol

(3Z)-1-methyl-3-(2-methylpentylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol (PubChem CID 91698504) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (3Z)-1-methyl-3-(2-methylpentylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol.

Molecular Properties

Compound Name(3Z)-1-methyl-3-(2-methylpentylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol
PubChem CID91698504
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(3Z)-1-methyl-3-(2-methylpentylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol
SMILESCCCC(C)/C=C1\CN2CCCCC2C(C)(O)C1
InChIInChI=1S/C16H29NO/c1-4-7-13(2)10-14-11-16(3,18)15-8-5-6-9-17(15)12-14/h10,13,15,18H,4-9,11-12H2,1-3H3/b14-10-
InChIKeyWFUPMTAQPDQFEH-UVTDQMKNSA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-1-methyl-3-(2-methylpentylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-methyl-3-(2-methylpentylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol?
The IUPAC name of (3Z)-1-methyl-3-(2-methylpentylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol (CID 91698504) is (3Z)-1-methyl-3-(2-methylpentylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol.
What is the SMILES notation for (3Z)-1-methyl-3-(2-methylpentylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol?
The canonical SMILES for (3Z)-1-methyl-3-(2-methylpentylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol is CCCC(C)/C=C1\CN2CCCCC2C(C)(O)C1.
What is the InChIKey of (3Z)-1-methyl-3-(2-methylpentylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol?
The InChIKey is WFUPMTAQPDQFEH-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H29NO/c1-4-7-13(2)10-14-11-16(3,18)15-8-5-6-9-17(15)12-14/h10,13,15,18H,4-9,11-12H2,1-3H3/b14-10-.
What are the key properties of (3Z)-1-methyl-3-(2-methylpentylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol?
(3Z)-1-methyl-3-(2-methylpentylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol has a molecular weight of 251.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-methyl-3-(2-methylpentylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol is sourced from PubChem (CID 91698504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).