1-ethyl-2,4-dihydropyridin-3-imine

C7H12N2 — CID 57189564

IUPAC1-ethyl-2,4-dihydropyridin-3-imine
SMILES[H]/N=C1\CC=CN(CC)C1
InChIInChI=1S/C7H12N2/c1-2-9-5-3-4-7(8)6-9/h3,5,8H,2,4,6H2,1H3/b8-7+
InChIKeySXFAUBBXYUGHLV-BQYQJAHWSA-N
MW124.19 g/mol
LogP1.25
Rot. Bonds1

About 1-ethyl-2,4-dihydropyridin-3-imine

1-ethyl-2,4-dihydropyridin-3-imine (PubChem CID 57189564) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-ethyl-2,4-dihydropyridin-3-imine.

Molecular Properties

Compound Name1-ethyl-2,4-dihydropyridin-3-imine
PubChem CID57189564
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-ethyl-2,4-dihydropyridin-3-imine
SMILES[H]/N=C1\CC=CN(CC)C1
InChIInChI=1S/C7H12N2/c1-2-9-5-3-4-7(8)6-9/h3,5,8H,2,4,6H2,1H3/b8-7+
InChIKeySXFAUBBXYUGHLV-BQYQJAHWSA-N
XLogP1.25
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.25
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

1-butylpyridin-4(1H)-imine
CID 1827817
N,1-dimethyl-2,3-dihydropyridin-4-imine
CID 56625157
1-Methyl-2,3-dihydropyridin-4-imine
CID 57023527
1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 57244631
1-Methyl-2,4-dihydropyridin-3-imine
CID 57245082
2-imino-N,N-dipropylpent-4-en-1-amine
CID 137453469
1-methyl-3-methylidene-2H-pyridin-4-imine
CID 143618829
1-(1-methyl-2H-azet-2-yl)ethanimine
CID 164174206
N,N-dimethyl-1-(3H-pyrrol-2-yl)methanamine
CID 124517902
4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine
CID 143370914

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4-dihydropyridin-3-imine?
The IUPAC name of 1-ethyl-2,4-dihydropyridin-3-imine (CID 57189564) is 1-ethyl-2,4-dihydropyridin-3-imine.
What is the SMILES notation for 1-ethyl-2,4-dihydropyridin-3-imine?
The canonical SMILES for 1-ethyl-2,4-dihydropyridin-3-imine is [H]/N=C1\CC=CN(CC)C1.
What is the InChIKey of 1-ethyl-2,4-dihydropyridin-3-imine?
The InChIKey is SXFAUBBXYUGHLV-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-9-5-3-4-7(8)6-9/h3,5,8H,2,4,6H2,1H3/b8-7+.
What are the key properties of 1-ethyl-2,4-dihydropyridin-3-imine?
1-ethyl-2,4-dihydropyridin-3-imine has a molecular weight of 124.19 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4-dihydropyridin-3-imine is sourced from PubChem (CID 57189564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).