2-(4-methyl-1,2-dihydropyridin-2-yl)ethanimine

C8H12N2 — CID 170073211

IUPAC2-(4-methyl-1,2-dihydropyridin-2-yl)ethanimine
SMILES[H]/N=C/CC1C=C(C)C=CN1
InChIInChI=1S/C8H12N2/c1-7-3-5-10-8(6-7)2-4-9/h3-6,8-10H,2H2,1H3/b9-4+
InChIKeyFAIUROXFFDLGQY-RUDMXATFSA-N
MW136.20 g/mol
LogP1.46
Rot. Bonds2

About 2-(4-methyl-1,2-dihydropyridin-2-yl)ethanimine

2-(4-methyl-1,2-dihydropyridin-2-yl)ethanimine (PubChem CID 170073211) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-(4-methyl-1,2-dihydropyridin-2-yl)ethanimine.

Molecular Properties

Compound Name2-(4-methyl-1,2-dihydropyridin-2-yl)ethanimine
PubChem CID170073211
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-(4-methyl-1,2-dihydropyridin-2-yl)ethanimine
SMILES[H]/N=C/CC1C=C(C)C=CN1
InChIInChI=1S/C8H12N2/c1-7-3-5-10-8(6-7)2-4-9/h3-6,8-10H,2H2,1H3/b9-4+
InChIKeyFAIUROXFFDLGQY-RUDMXATFSA-N
XLogP1.46
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2-dihydropyridin-2-yl)ethanimine?
The IUPAC name of 2-(4-methyl-1,2-dihydropyridin-2-yl)ethanimine (CID 170073211) is 2-(4-methyl-1,2-dihydropyridin-2-yl)ethanimine.
What is the SMILES notation for 2-(4-methyl-1,2-dihydropyridin-2-yl)ethanimine?
The canonical SMILES for 2-(4-methyl-1,2-dihydropyridin-2-yl)ethanimine is [H]/N=C/CC1C=C(C)C=CN1.
What is the InChIKey of 2-(4-methyl-1,2-dihydropyridin-2-yl)ethanimine?
The InChIKey is FAIUROXFFDLGQY-RUDMXATFSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-3-5-10-8(6-7)2-4-9/h3-6,8-10H,2H2,1H3/b9-4+.
What are the key properties of 2-(4-methyl-1,2-dihydropyridin-2-yl)ethanimine?
2-(4-methyl-1,2-dihydropyridin-2-yl)ethanimine has a molecular weight of 136.20 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2-dihydropyridin-2-yl)ethanimine is sourced from PubChem (CID 170073211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).