N-ethyl-1-(2-methylidene-1-pyridinyl)methanimine

C9H12N2 — CID 167243092

IUPACN-ethyl-1-(2-methylidene-1-pyridinyl)methanimine
SMILESC=C1C=CC=CN1/C=N/CC
InChIInChI=1S/C9H12N2/c1-3-10-8-11-7-5-4-6-9(11)2/h4-8H,2-3H2,1H3/b10-8+
InChIKeyQLCKADFWCXOSME-CSKARUKUSA-N
MW148.21 g/mol
LogP1.93
Rot. Bonds2

About N-ethyl-1-(2-methylidene-1-pyridinyl)methanimine

N-ethyl-1-(2-methylidene-1-pyridinyl)methanimine (PubChem CID 167243092) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-ethyl-1-(2-methylidene-1-pyridinyl)methanimine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylidene-1-pyridinyl)methanimine
PubChem CID167243092
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-ethyl-1-(2-methylidene-1-pyridinyl)methanimine
SMILESC=C1C=CC=CN1/C=N/CC
InChIInChI=1S/C9H12N2/c1-3-10-8-11-7-5-4-6-9(11)2/h4-8H,2-3H2,1H3/b10-8+
InChIKeyQLCKADFWCXOSME-CSKARUKUSA-N
XLogP1.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylidene-1-pyridinyl)methanimine?
The IUPAC name of N-ethyl-1-(2-methylidene-1-pyridinyl)methanimine (CID 167243092) is N-ethyl-1-(2-methylidene-1-pyridinyl)methanimine.
What is the SMILES notation for N-ethyl-1-(2-methylidene-1-pyridinyl)methanimine?
The canonical SMILES for N-ethyl-1-(2-methylidene-1-pyridinyl)methanimine is C=C1C=CC=CN1/C=N/CC.
What is the InChIKey of N-ethyl-1-(2-methylidene-1-pyridinyl)methanimine?
The InChIKey is QLCKADFWCXOSME-CSKARUKUSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-10-8-11-7-5-4-6-9(11)2/h4-8H,2-3H2,1H3/b10-8+.
What are the key properties of N-ethyl-1-(2-methylidene-1-pyridinyl)methanimine?
N-ethyl-1-(2-methylidene-1-pyridinyl)methanimine has a molecular weight of 148.21 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylidene-1-pyridinyl)methanimine is sourced from PubChem (CID 167243092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).