[(2E)-2-butylidene-1-pyridinyl]methanimine

C10H14N2 — CID 174321614

IUPAC[(2E)-2-butylidene-1-pyridinyl]methanimine
SMILES[H]/N=C/N1C=CC=C/C1=C\CCC
InChIInChI=1S/C10H14N2/c1-2-3-6-10-7-4-5-8-12(10)9-11/h4-9,11H,2-3H2,1H3/b10-6+,11-9+
InChIKeyCFFYOOZIRFRBCX-BBYAVRKXSA-N
MW162.24 g/mol
LogP2.66
Rot. Bonds3

About [(2E)-2-butylidene-1-pyridinyl]methanimine

[(2E)-2-butylidene-1-pyridinyl]methanimine (PubChem CID 174321614) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is [(2E)-2-butylidene-1-pyridinyl]methanimine.

Molecular Properties

Compound Name[(2E)-2-butylidene-1-pyridinyl]methanimine
PubChem CID174321614
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name[(2E)-2-butylidene-1-pyridinyl]methanimine
SMILES[H]/N=C/N1C=CC=C/C1=C\CCC
InChIInChI=1S/C10H14N2/c1-2-3-6-10-7-4-5-8-12(10)9-11/h4-9,11H,2-3H2,1H3/b10-6+,11-9+
InChIKeyCFFYOOZIRFRBCX-BBYAVRKXSA-N
XLogP2.66
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
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 [(2E)-2-butylidene-1-pyridinyl]methanimine?
The IUPAC name of [(2E)-2-butylidene-1-pyridinyl]methanimine (CID 174321614) is [(2E)-2-butylidene-1-pyridinyl]methanimine.
What is the SMILES notation for [(2E)-2-butylidene-1-pyridinyl]methanimine?
The canonical SMILES for [(2E)-2-butylidene-1-pyridinyl]methanimine is [H]/N=C/N1C=CC=C/C1=C\CCC.
What is the InChIKey of [(2E)-2-butylidene-1-pyridinyl]methanimine?
The InChIKey is CFFYOOZIRFRBCX-BBYAVRKXSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-3-6-10-7-4-5-8-12(10)9-11/h4-9,11H,2-3H2,1H3/b10-6+,11-9+.
What are the key properties of [(2E)-2-butylidene-1-pyridinyl]methanimine?
[(2E)-2-butylidene-1-pyridinyl]methanimine has a molecular weight of 162.24 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-butylidene-1-pyridinyl]methanimine is sourced from PubChem (CID 174321614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).