2-(3-methyl-2,3-dihydropyridin-6-yl)ethanimine

C8H12N2 — CID 91543347

IUPAC2-(3-methyl-2,3-dihydropyridin-6-yl)ethanimine
SMILES[H]/N=C/CC1=NCC(C)C=C1
InChIInChI=1S/C8H12N2/c1-7-2-3-8(4-5-9)10-6-7/h2-3,5,7,9H,4,6H2,1H3/b9-5+
InChIKeyGHYCEJBMTMHARU-WEVVVXLNSA-N
MW136.20 g/mol
LogP1.67
Rot. Bonds2

About 2-(3-methyl-2,3-dihydropyridin-6-yl)ethanimine

2-(3-methyl-2,3-dihydropyridin-6-yl)ethanimine (PubChem CID 91543347) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-(3-methyl-2,3-dihydropyridin-6-yl)ethanimine.

Molecular Properties

Compound Name2-(3-methyl-2,3-dihydropyridin-6-yl)ethanimine
PubChem CID91543347
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-(3-methyl-2,3-dihydropyridin-6-yl)ethanimine
SMILES[H]/N=C/CC1=NCC(C)C=C1
InChIInChI=1S/C8H12N2/c1-7-2-3-8(4-5-9)10-6-7/h2-3,5,7,9H,4,6H2,1H3/b9-5+
InChIKeyGHYCEJBMTMHARU-WEVVVXLNSA-N
XLogP1.67
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diiminotoluene
CID 166176910
3-Pent-1-enyl-2,3-dihydropyridine
CID 60055383
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744
(6Z)-6-[(2-methylpropylideneamino)methylidene]cyclohexa-2,4-dien-1-imine
CID 69924450
6-Propan-2-yl-2,3-dihydropyridine
CID 70224591
2-Methyl-4a,8a-dihydro-1,8-naphthyridine
CID 70335790
(5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine
CID 87310176
(Z)-hex-2-ene-1,4-diimine
CID 88171021
(6Z)-6-(2-iminoethylidene)cyclohexa-2,4-dien-1-imine
CID 88409253
N-[(Z)-2-methylhex-4-en-3-ylidene]methanimidamide
CID 88580454
(Z)-5,5-dimethylhex-2-ene-1,4-diimine
CID 88945909
6-[(Methylideneamino)methyl]cyclohexa-2,4-dien-1-imine
CID 89224592

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,3-dihydropyridin-6-yl)ethanimine?
The IUPAC name of 2-(3-methyl-2,3-dihydropyridin-6-yl)ethanimine (CID 91543347) is 2-(3-methyl-2,3-dihydropyridin-6-yl)ethanimine.
What is the SMILES notation for 2-(3-methyl-2,3-dihydropyridin-6-yl)ethanimine?
The canonical SMILES for 2-(3-methyl-2,3-dihydropyridin-6-yl)ethanimine is [H]/N=C/CC1=NCC(C)C=C1.
What is the InChIKey of 2-(3-methyl-2,3-dihydropyridin-6-yl)ethanimine?
The InChIKey is GHYCEJBMTMHARU-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-2-3-8(4-5-9)10-6-7/h2-3,5,7,9H,4,6H2,1H3/b9-5+.
What are the key properties of 2-(3-methyl-2,3-dihydropyridin-6-yl)ethanimine?
2-(3-methyl-2,3-dihydropyridin-6-yl)ethanimine has a molecular weight of 136.20 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,3-dihydropyridin-6-yl)ethanimine is sourced from PubChem (CID 91543347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).