3,4-dihydropyridin-2-ylmethanimine

C6H8N2 — CID 163562299

IUPAC3,4-dihydropyridin-2-ylmethanimine
SMILES[H]/N=C/C1=NC=CCC1
InChIInChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h2,4-5,7H,1,3H2/b7-5+
InChIKeyFSGBMHIDCNYBIP-FNORWQNLSA-N
MW108.14 g/mol
LogP1.38
Rot. Bonds1

About 3,4-dihydropyridin-2-ylmethanimine

3,4-dihydropyridin-2-ylmethanimine (PubChem CID 163562299) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 3,4-dihydropyridin-2-ylmethanimine.

Molecular Properties

Compound Name3,4-dihydropyridin-2-ylmethanimine
PubChem CID163562299
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name3,4-dihydropyridin-2-ylmethanimine
SMILES[H]/N=C/C1=NC=CCC1
InChIInChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h2,4-5,7H,1,3H2/b7-5+
InChIKeyFSGBMHIDCNYBIP-FNORWQNLSA-N
XLogP1.38
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.38
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

4-Iminopyridine
CID 21297554
Pyridine-3,4-diimine
CID 22022782
3-diazo-4H-pyridine
CID 123840381
2-Methyl-3,4-dihydropyridine
CID 14979252
N-propan-2-yl-4H-pyridin-3-imine
CID 19384805
N-methyl-3H-pyridin-4-imine
CID 20520378
4H-pyridin-3-imine
CID 21297587
3,4-Dihydropyridin-4-amine
CID 53872884
3,4-Dihydropyridin-4-ylmethanimine
CID 57169867
N-(4H-pyridin-3-ylidene)methanimidamide
CID 66613397
N-methyl-4H-pyridin-3-imine
CID 67496115
N-butyl-4H-pyridin-3-imine
CID 67808449

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydropyridin-2-ylmethanimine?
The IUPAC name of 3,4-dihydropyridin-2-ylmethanimine (CID 163562299) is 3,4-dihydropyridin-2-ylmethanimine.
What is the SMILES notation for 3,4-dihydropyridin-2-ylmethanimine?
The canonical SMILES for 3,4-dihydropyridin-2-ylmethanimine is [H]/N=C/C1=NC=CCC1.
What is the InChIKey of 3,4-dihydropyridin-2-ylmethanimine?
The InChIKey is FSGBMHIDCNYBIP-FNORWQNLSA-N. The full InChI is InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h2,4-5,7H,1,3H2/b7-5+.
What are the key properties of 3,4-dihydropyridin-2-ylmethanimine?
3,4-dihydropyridin-2-ylmethanimine has a molecular weight of 108.14 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyridin-2-ylmethanimine is sourced from PubChem (CID 163562299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).