2-(3,6-dihydro-2H-pyridin-1-yl)ethanimine

C7H12N2 — CID 88953129

IUPAC2-(3,6-dihydro-2H-pyridin-1-yl)ethanimine
SMILES[H]/N=C/CN1CC=CCC1
InChIInChI=1S/C7H12N2/c8-4-7-9-5-2-1-3-6-9/h1-2,4,8H,3,5-7H2/b8-4+
InChIKeyAHTYDAIVMSXBNA-XBXARRHUSA-N
MW124.19 g/mol
LogP0.90
Rot. Bonds2

About 2-(3,6-dihydro-2H-pyridin-1-yl)ethanimine

2-(3,6-dihydro-2H-pyridin-1-yl)ethanimine (PubChem CID 88953129) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridin-1-yl)ethanimine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridin-1-yl)ethanimine
PubChem CID88953129
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-(3,6-dihydro-2H-pyridin-1-yl)ethanimine
SMILES[H]/N=C/CN1CC=CCC1
InChIInChI=1S/C7H12N2/c8-4-7-9-5-2-1-3-6-9/h1-2,4,8H,3,5-7H2/b8-4+
InChIKeyAHTYDAIVMSXBNA-XBXARRHUSA-N
XLogP0.90
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)ethanimine?
The IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)ethanimine (CID 88953129) is 2-(3,6-dihydro-2H-pyridin-1-yl)ethanimine.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridin-1-yl)ethanimine?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridin-1-yl)ethanimine is [H]/N=C/CN1CC=CCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridin-1-yl)ethanimine?
The InChIKey is AHTYDAIVMSXBNA-XBXARRHUSA-N. The full InChI is InChI=1S/C7H12N2/c8-4-7-9-5-2-1-3-6-9/h1-2,4,8H,3,5-7H2/b8-4+.
What are the key properties of 2-(3,6-dihydro-2H-pyridin-1-yl)ethanimine?
2-(3,6-dihydro-2H-pyridin-1-yl)ethanimine has a molecular weight of 124.19 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyridin-1-yl)ethanimine is sourced from PubChem (CID 88953129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).