(2E)-3-methylidene-2-[(E)-3,3,4-trimethyl-2-methylidenehex-4-enylidene]pyridine

C16H21N — CID 167041044

IUPAC(2E)-3-methylidene-2-[(E)-3,3,4-trimethyl-2-methylidenehex-4-enylidene]pyridine
SMILESC=C(/C=c1/ncccc1=C)C(C)(C)/C(C)=C/C
InChIInChI=1S/C16H21N/c1-7-13(3)16(5,6)14(4)11-15-12(2)9-8-10-17-15/h7-11H,2,4H2,1,3,5-6H3/b13-7+,15-11+
InChIKeyWQBTVVJHGJFSMS-SWZCAMMWSA-N
MW227.35 g/mol
LogP2.82
Rot. Bonds3

About (2E)-3-methylidene-2-[(E)-3,3,4-trimethyl-2-methylidenehex-4-enylidene]pyridine

(2E)-3-methylidene-2-[(E)-3,3,4-trimethyl-2-methylidenehex-4-enylidene]pyridine (PubChem CID 167041044) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is (2E)-3-methylidene-2-[(E)-3,3,4-trimethyl-2-methylidenehex-4-enylidene]pyridine.

Molecular Properties

Compound Name(2E)-3-methylidene-2-[(E)-3,3,4-trimethyl-2-methylidenehex-4-enylidene]pyridine
PubChem CID167041044
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name(2E)-3-methylidene-2-[(E)-3,3,4-trimethyl-2-methylidenehex-4-enylidene]pyridine
SMILESC=C(/C=c1/ncccc1=C)C(C)(C)/C(C)=C/C
InChIInChI=1S/C16H21N/c1-7-13(3)16(5,6)14(4)11-15-12(2)9-8-10-17-15/h7-11H,2,4H2,1,3,5-6H3/b13-7+,15-11+
InChIKeyWQBTVVJHGJFSMS-SWZCAMMWSA-N
XLogP2.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-3-methylidene-2-[(E)-3,3,4-trimethyl-2-methylidenehex-4-enylidene]pyridine 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 (2E)-3-methylidene-2-[(E)-3,3,4-trimethyl-2-methylidenehex-4-enylidene]pyridine?
The IUPAC name of (2E)-3-methylidene-2-[(E)-3,3,4-trimethyl-2-methylidenehex-4-enylidene]pyridine (CID 167041044) is (2E)-3-methylidene-2-[(E)-3,3,4-trimethyl-2-methylidenehex-4-enylidene]pyridine.
What is the SMILES notation for (2E)-3-methylidene-2-[(E)-3,3,4-trimethyl-2-methylidenehex-4-enylidene]pyridine?
The canonical SMILES for (2E)-3-methylidene-2-[(E)-3,3,4-trimethyl-2-methylidenehex-4-enylidene]pyridine is C=C(/C=c1/ncccc1=C)C(C)(C)/C(C)=C/C.
What is the InChIKey of (2E)-3-methylidene-2-[(E)-3,3,4-trimethyl-2-methylidenehex-4-enylidene]pyridine?
The InChIKey is WQBTVVJHGJFSMS-SWZCAMMWSA-N. The full InChI is InChI=1S/C16H21N/c1-7-13(3)16(5,6)14(4)11-15-12(2)9-8-10-17-15/h7-11H,2,4H2,1,3,5-6H3/b13-7+,15-11+.
What are the key properties of (2E)-3-methylidene-2-[(E)-3,3,4-trimethyl-2-methylidenehex-4-enylidene]pyridine?
(2E)-3-methylidene-2-[(E)-3,3,4-trimethyl-2-methylidenehex-4-enylidene]pyridine has a molecular weight of 227.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-methylidene-2-[(E)-3,3,4-trimethyl-2-methylidenehex-4-enylidene]pyridine is sourced from PubChem (CID 167041044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).