3,3,6-trimethyl-2-methylidene-1,4-dihydropyridine

C9H15N — CID 89013551

IUPAC3,3,6-trimethyl-2-methylidene-1,4-dihydropyridine
SMILESC=C1NC(C)=CCC1(C)C
InChIInChI=1S/C9H15N/c1-7-5-6-9(3,4)8(2)10-7/h5,10H,2,6H2,1,3-4H3
InChIKeyBAOWWKAHTDNPDN-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.42
Rot. Bonds

About 3,3,6-trimethyl-2-methylidene-1,4-dihydropyridine

3,3,6-trimethyl-2-methylidene-1,4-dihydropyridine (PubChem CID 89013551) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3,3,6-trimethyl-2-methylidene-1,4-dihydropyridine.

Molecular Properties

Compound Name3,3,6-trimethyl-2-methylidene-1,4-dihydropyridine
PubChem CID89013551
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3,3,6-trimethyl-2-methylidene-1,4-dihydropyridine
SMILESC=C1NC(C)=CCC1(C)C
InChIInChI=1S/C9H15N/c1-7-5-6-9(3,4)8(2)10-7/h5,10H,2,6H2,1,3-4H3
InChIKeyBAOWWKAHTDNPDN-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3,6-trimethyl-2-methylidene-1,4-dihydropyridine 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 3,3,6-trimethyl-2-methylidene-1,4-dihydropyridine?
The IUPAC name of 3,3,6-trimethyl-2-methylidene-1,4-dihydropyridine (CID 89013551) is 3,3,6-trimethyl-2-methylidene-1,4-dihydropyridine.
What is the SMILES notation for 3,3,6-trimethyl-2-methylidene-1,4-dihydropyridine?
The canonical SMILES for 3,3,6-trimethyl-2-methylidene-1,4-dihydropyridine is C=C1NC(C)=CCC1(C)C.
What is the InChIKey of 3,3,6-trimethyl-2-methylidene-1,4-dihydropyridine?
The InChIKey is BAOWWKAHTDNPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7-5-6-9(3,4)8(2)10-7/h5,10H,2,6H2,1,3-4H3.
What are the key properties of 3,3,6-trimethyl-2-methylidene-1,4-dihydropyridine?
3,3,6-trimethyl-2-methylidene-1,4-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-trimethyl-2-methylidene-1,4-dihydropyridine is sourced from PubChem (CID 89013551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).