(8Z)-4,5-dimethyl-2-methylidene-4,5,6,7-tetrahydro-3H-azecine

C12H19N — CID 146259133

IUPAC(8Z)-4,5-dimethyl-2-methylidene-4,5,6,7-tetrahydro-3H-azecine
SMILESC=C1CC(C)C(C)CC/C=C\C=N\1
InChIInChI=1S/C12H19N/c1-10-7-5-4-6-8-13-12(3)9-11(10)2/h4,6,8,10-11H,3,5,7,9H2,1-2H3/b6-4-,13-8+
InChIKeyDBQQYLSMQLTQJH-RUMQPUKBSA-N
MW177.29 g/mol
LogP3.58
Rot. Bonds

About (8Z)-4,5-dimethyl-2-methylidene-4,5,6,7-tetrahydro-3H-azecine

(8Z)-4,5-dimethyl-2-methylidene-4,5,6,7-tetrahydro-3H-azecine (PubChem CID 146259133) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (8Z)-4,5-dimethyl-2-methylidene-4,5,6,7-tetrahydro-3H-azecine.

Molecular Properties

Compound Name(8Z)-4,5-dimethyl-2-methylidene-4,5,6,7-tetrahydro-3H-azecine
PubChem CID146259133
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(8Z)-4,5-dimethyl-2-methylidene-4,5,6,7-tetrahydro-3H-azecine
SMILESC=C1CC(C)C(C)CC/C=C\C=N\1
InChIInChI=1S/C12H19N/c1-10-7-5-4-6-8-13-12(3)9-11(10)2/h4,6,8,10-11H,3,5,7,9H2,1-2H3/b6-4-,13-8+
InChIKeyDBQQYLSMQLTQJH-RUMQPUKBSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (8Z)-4,5-dimethyl-2-methylidene-4,5,6,7-tetrahydro-3H-azecine 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 (8Z)-4,5-dimethyl-2-methylidene-4,5,6,7-tetrahydro-3H-azecine?
The IUPAC name of (8Z)-4,5-dimethyl-2-methylidene-4,5,6,7-tetrahydro-3H-azecine (CID 146259133) is (8Z)-4,5-dimethyl-2-methylidene-4,5,6,7-tetrahydro-3H-azecine.
What is the SMILES notation for (8Z)-4,5-dimethyl-2-methylidene-4,5,6,7-tetrahydro-3H-azecine?
The canonical SMILES for (8Z)-4,5-dimethyl-2-methylidene-4,5,6,7-tetrahydro-3H-azecine is C=C1CC(C)C(C)CC/C=C\C=N\1.
What is the InChIKey of (8Z)-4,5-dimethyl-2-methylidene-4,5,6,7-tetrahydro-3H-azecine?
The InChIKey is DBQQYLSMQLTQJH-RUMQPUKBSA-N. The full InChI is InChI=1S/C12H19N/c1-10-7-5-4-6-8-13-12(3)9-11(10)2/h4,6,8,10-11H,3,5,7,9H2,1-2H3/b6-4-,13-8+.
What are the key properties of (8Z)-4,5-dimethyl-2-methylidene-4,5,6,7-tetrahydro-3H-azecine?
(8Z)-4,5-dimethyl-2-methylidene-4,5,6,7-tetrahydro-3H-azecine has a molecular weight of 177.29 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-4,5-dimethyl-2-methylidene-4,5,6,7-tetrahydro-3H-azecine is sourced from PubChem (CID 146259133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).