1-(3,4-dihydropyridin-6-yl)ethanimine

C7H10N2 — CID 90783991

IUPAC1-(3,4-dihydropyridin-6-yl)ethanimine
SMILES[H]/N=C(\C)C1=CCCC=N1
InChIInChI=1S/C7H10N2/c1-6(8)7-4-2-3-5-9-7/h4-5,8H,2-3H2,1H3/b8-6+
InChIKeyIUYSSOPSQSGNML-SOFGYWHQSA-N
MW122.17 g/mol
LogP1.77
Rot. Bonds1

About 1-(3,4-dihydropyridin-6-yl)ethanimine

1-(3,4-dihydropyridin-6-yl)ethanimine (PubChem CID 90783991) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-(3,4-dihydropyridin-6-yl)ethanimine.

Molecular Properties

Compound Name1-(3,4-dihydropyridin-6-yl)ethanimine
PubChem CID90783991
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1-(3,4-dihydropyridin-6-yl)ethanimine
SMILES[H]/N=C(\C)C1=CCCC=N1
InChIInChI=1S/C7H10N2/c1-6(8)7-4-2-3-5-9-7/h4-5,8H,2-3H2,1H3/b8-6+
InChIKeyIUYSSOPSQSGNML-SOFGYWHQSA-N
XLogP1.77
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.77
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

(Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine
CID 123539659
6-Methyl-3,4-dihydropyridine
CID 14979256
6-Ethyl-3,4-dihydropyridine
CID 14979257
3H-pyridin-1-ium-5-amine
CID 57035951
2-Methylidenepyridin-3-imine
CID 85854288
2-Methyl-2,3-dihydropyridin-5-amine
CID 89681835
(3Z)-3-[1-(ethylideneamino)ethylidene]pyridin-4-imine
CID 89712822
2-(2,3-Dihydropyridin-6-yl)ethanimine
CID 90964112
5-Ethylpyrrol-3-imine
CID 118109937
(Z)-3-N-ethylidenepent-2-ene-1,3-diimine
CID 118889253
(E)-3-N-ethylidenepent-2-ene-1,3-diimine
CID 123200842
1-(3,4-Dihydropyridin-6-yl)propan-1-imine
CID 123412427

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydropyridin-6-yl)ethanimine?
The IUPAC name of 1-(3,4-dihydropyridin-6-yl)ethanimine (CID 90783991) is 1-(3,4-dihydropyridin-6-yl)ethanimine.
What is the SMILES notation for 1-(3,4-dihydropyridin-6-yl)ethanimine?
The canonical SMILES for 1-(3,4-dihydropyridin-6-yl)ethanimine is [H]/N=C(\C)C1=CCCC=N1.
What is the InChIKey of 1-(3,4-dihydropyridin-6-yl)ethanimine?
The InChIKey is IUYSSOPSQSGNML-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H10N2/c1-6(8)7-4-2-3-5-9-7/h4-5,8H,2-3H2,1H3/b8-6+.
What are the key properties of 1-(3,4-dihydropyridin-6-yl)ethanimine?
1-(3,4-dihydropyridin-6-yl)ethanimine has a molecular weight of 122.17 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydropyridin-6-yl)ethanimine is sourced from PubChem (CID 90783991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).