(3Z)-3-ethylidene-N,6-dimethylpyridin-2-imine

C9H12N2 — CID 142280961

IUPAC(3Z)-3-ethylidene-N,6-dimethylpyridin-2-imine
SMILESC/C=C1/C=CC(C)=N/C1=N\C
InChIInChI=1S/C9H12N2/c1-4-8-6-5-7(2)11-9(8)10-3/h4-6H,1-3H3/b8-4-,10-9-
InChIKeyATABINTXKZANHU-LSTBLOBISA-N
MW148.21 g/mol
LogP1.99
Rot. Bonds

About (3Z)-3-ethylidene-N,6-dimethylpyridin-2-imine

(3Z)-3-ethylidene-N,6-dimethylpyridin-2-imine (PubChem CID 142280961) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (3Z)-3-ethylidene-N,6-dimethylpyridin-2-imine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-N,6-dimethylpyridin-2-imine
PubChem CID142280961
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(3Z)-3-ethylidene-N,6-dimethylpyridin-2-imine
SMILESC/C=C1/C=CC(C)=N/C1=N\C
InChIInChI=1S/C9H12N2/c1-4-8-6-5-7(2)11-9(8)10-3/h4-6H,1-3H3/b8-4-,10-9-
InChIKeyATABINTXKZANHU-LSTBLOBISA-N
XLogP1.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4H-cyclohepta[d]pyrimidine
CID 45080391
N-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide
CID 170031327
5-methyl-2H-benzimidazole
CID 22891152
Indol-2-ylidenecyanamide
CID 42635632
2-propan-2-yl-3aH-benzimidazole
CID 53400241
6-methyl-3aH-benzimidazole
CID 53400306
2-methyl-3aH-benzimidazole
CID 53400518
2-ethyl-3aH-benzimidazole
CID 53400607
5-methyl-3aH-benzimidazole
CID 53402968
2-tert-butyl-3aH-benzimidazole
CID 53405530
1-N,2-N,4-trimethylcyclohexa-3,5-diene-1,2-diimine
CID 53921814
Indol-2-ylidene(methylimino)azanium
CID 57084095

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-N,6-dimethylpyridin-2-imine?
The IUPAC name of (3Z)-3-ethylidene-N,6-dimethylpyridin-2-imine (CID 142280961) is (3Z)-3-ethylidene-N,6-dimethylpyridin-2-imine.
What is the SMILES notation for (3Z)-3-ethylidene-N,6-dimethylpyridin-2-imine?
The canonical SMILES for (3Z)-3-ethylidene-N,6-dimethylpyridin-2-imine is C/C=C1/C=CC(C)=N/C1=N\C.
What is the InChIKey of (3Z)-3-ethylidene-N,6-dimethylpyridin-2-imine?
The InChIKey is ATABINTXKZANHU-LSTBLOBISA-N. The full InChI is InChI=1S/C9H12N2/c1-4-8-6-5-7(2)11-9(8)10-3/h4-6H,1-3H3/b8-4-,10-9-.
What are the key properties of (3Z)-3-ethylidene-N,6-dimethylpyridin-2-imine?
(3Z)-3-ethylidene-N,6-dimethylpyridin-2-imine has a molecular weight of 148.21 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-N,6-dimethylpyridin-2-imine is sourced from PubChem (CID 142280961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).