N-ethyl-3,4-dihydro-1H-pyridin-2-imine

C7H12N2 — CID 136962811

IUPACN-ethyl-3,4-dihydro-1H-pyridin-2-imine
SMILESCC/N=C1\CCC=CN1
InChIInChI=1S/C7H12N2/c1-2-8-7-5-3-4-6-9-7/h4,6H,2-3,5H2,1H3,(H,8,9)
InChIKeyQMKXWHXOKKWYBC-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.30
Rot. Bonds1

About N-ethyl-3,4-dihydro-1H-pyridin-2-imine

N-ethyl-3,4-dihydro-1H-pyridin-2-imine (PubChem CID 136962811) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-ethyl-3,4-dihydro-1H-pyridin-2-imine.

Molecular Properties

Compound NameN-ethyl-3,4-dihydro-1H-pyridin-2-imine
PubChem CID136962811
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-ethyl-3,4-dihydro-1H-pyridin-2-imine
SMILESCC/N=C1\CCC=CN1
InChIInChI=1S/C7H12N2/c1-2-8-7-5-3-4-6-9-7/h4,6H,2-3,5H2,1H3,(H,8,9)
InChIKeyQMKXWHXOKKWYBC-UHFFFAOYSA-N
XLogP1.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dihydro-1H-pyridin-2-imine?
The IUPAC name of N-ethyl-3,4-dihydro-1H-pyridin-2-imine (CID 136962811) is N-ethyl-3,4-dihydro-1H-pyridin-2-imine.
What is the SMILES notation for N-ethyl-3,4-dihydro-1H-pyridin-2-imine?
The canonical SMILES for N-ethyl-3,4-dihydro-1H-pyridin-2-imine is CC/N=C1\CCC=CN1.
What is the InChIKey of N-ethyl-3,4-dihydro-1H-pyridin-2-imine?
The InChIKey is QMKXWHXOKKWYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-8-7-5-3-4-6-9-7/h4,6H,2-3,5H2,1H3,(H,8,9).
What are the key properties of N-ethyl-3,4-dihydro-1H-pyridin-2-imine?
N-ethyl-3,4-dihydro-1H-pyridin-2-imine has a molecular weight of 124.19 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dihydro-1H-pyridin-2-imine is sourced from PubChem (CID 136962811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).