(4E,6Z)-2-methylidene-7-(2-methylpropyl)-3H-azocine

C12H17N — CID 123484113

IUPAC(4E,6Z)-2-methylidene-7-(2-methylpropyl)-3H-azocine
SMILESC=C1C/C=C\C=C(CC(C)C)/C=N\1
InChIInChI=1S/C12H17N/c1-10(2)8-12-7-5-4-6-11(3)13-9-12/h4-5,7,9-10H,3,6,8H2,1-2H3/b5-4-,12-7-,13-9-
InChIKeyPPQOSWBQTBGCKW-BLKSCGDRSA-N
MW175.27 g/mol
LogP3.50
Rot. Bonds2

About (4E,6Z)-2-methylidene-7-(2-methylpropyl)-3H-azocine

(4E,6Z)-2-methylidene-7-(2-methylpropyl)-3H-azocine (PubChem CID 123484113) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (4E,6Z)-2-methylidene-7-(2-methylpropyl)-3H-azocine.

Molecular Properties

Compound Name(4E,6Z)-2-methylidene-7-(2-methylpropyl)-3H-azocine
PubChem CID123484113
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(4E,6Z)-2-methylidene-7-(2-methylpropyl)-3H-azocine
SMILESC=C1C/C=C\C=C(CC(C)C)/C=N\1
InChIInChI=1S/C12H17N/c1-10(2)8-12-7-5-4-6-11(3)13-9-12/h4-5,7,9-10H,3,6,8H2,1-2H3/b5-4-,12-7-,13-9-
InChIKeyPPQOSWBQTBGCKW-BLKSCGDRSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4E,6Z)-2-methylidene-7-(2-methylpropyl)-3H-azocine with MolForge

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

Launch Full Analysis

Related Compounds

(3E,5Z)-3-ethenyl-N-[(Z)-1-fluoro-5-methylhept-3-en-3-yl]-6-methyl-2-methylideneocta-3,5-dien-1-imine
CID 169645766
4,7-di(propan-2-yl)-3H-azepine
CID 11819584
6-Methylidene-5-propan-2-yl-2-(trifluoromethyl)azepine
CID 162614365
3-Propylcyclopenta[b]pyrrole
CID 21095465
3-Butan-2-ylcyclopenta[b]pyrrole
CID 21095605
3-Butan-2-ylcyclopenta[c]pyrrole
CID 21095609
(2Z,4Z,6Z)-2,3-di(propan-2-yl)azocine
CID 58763085
4-Methylidene-2,3-di(propan-2-yl)pyrrole
CID 60125506
(Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine
CID 88562301
(2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine
CID 88576624
2-Ethyl-4-methylidene-3-propan-2-ylpyrrole
CID 89263313
(3Z)-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-imine
CID 89775173

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-2-methylidene-7-(2-methylpropyl)-3H-azocine?
The IUPAC name of (4E,6Z)-2-methylidene-7-(2-methylpropyl)-3H-azocine (CID 123484113) is (4E,6Z)-2-methylidene-7-(2-methylpropyl)-3H-azocine.
What is the SMILES notation for (4E,6Z)-2-methylidene-7-(2-methylpropyl)-3H-azocine?
The canonical SMILES for (4E,6Z)-2-methylidene-7-(2-methylpropyl)-3H-azocine is C=C1C/C=C\C=C(CC(C)C)/C=N\1.
What is the InChIKey of (4E,6Z)-2-methylidene-7-(2-methylpropyl)-3H-azocine?
The InChIKey is PPQOSWBQTBGCKW-BLKSCGDRSA-N. The full InChI is InChI=1S/C12H17N/c1-10(2)8-12-7-5-4-6-11(3)13-9-12/h4-5,7,9-10H,3,6,8H2,1-2H3/b5-4-,12-7-,13-9-.
What are the key properties of (4E,6Z)-2-methylidene-7-(2-methylpropyl)-3H-azocine?
(4E,6Z)-2-methylidene-7-(2-methylpropyl)-3H-azocine has a molecular weight of 175.27 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-2-methylidene-7-(2-methylpropyl)-3H-azocine is sourced from PubChem (CID 123484113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).