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

C17H31NO — CID 91698503

IUPAC(3Z)-1-methyl-3-(2-methylhexylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol
SMILESCCCCC(C)/C=C1\CN2CCCCC2C(C)(O)C1
InChIInChI=1S/C17H31NO/c1-4-5-8-14(2)11-15-12-17(3,19)16-9-6-7-10-18(16)13-15/h11,14,16,19H,4-10,12-13H2,1-3H3/b15-11-
InChIKeyNTTTUNHEZLFBNF-PTNGSMBKSA-N
MW265.44 g/mol
LogP3.75
Rot. Bonds4

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

(3Z)-1-methyl-3-(2-methylhexylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol (PubChem CID 91698503) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is (3Z)-1-methyl-3-(2-methylhexylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol.

Molecular Properties

Compound Name(3Z)-1-methyl-3-(2-methylhexylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol
PubChem CID91698503
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name(3Z)-1-methyl-3-(2-methylhexylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol
SMILESCCCCC(C)/C=C1\CN2CCCCC2C(C)(O)C1
InChIInChI=1S/C17H31NO/c1-4-5-8-14(2)11-15-12-17(3,19)16-9-6-7-10-18(16)13-15/h11,14,16,19H,4-10,12-13H2,1-3H3/b15-11-
InChIKeyNTTTUNHEZLFBNF-PTNGSMBKSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3Z)-1-methyl-3-(2-methylhexylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol?
The IUPAC name of (3Z)-1-methyl-3-(2-methylhexylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol (CID 91698503) is (3Z)-1-methyl-3-(2-methylhexylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol.
What is the SMILES notation for (3Z)-1-methyl-3-(2-methylhexylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol?
The canonical SMILES for (3Z)-1-methyl-3-(2-methylhexylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol is CCCCC(C)/C=C1\CN2CCCCC2C(C)(O)C1.
What is the InChIKey of (3Z)-1-methyl-3-(2-methylhexylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol?
The InChIKey is NTTTUNHEZLFBNF-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-5-8-14(2)11-15-12-17(3,19)16-9-6-7-10-18(16)13-15/h11,14,16,19H,4-10,12-13H2,1-3H3/b15-11-.
What are the key properties of (3Z)-1-methyl-3-(2-methylhexylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol?
(3Z)-1-methyl-3-(2-methylhexylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol has a molecular weight of 265.44 g/mol, XLogP of 3.75, 4 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-methylhexylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol is sourced from PubChem (CID 91698503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).