1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine

C11H16N2 — CID 139397212

IUPAC1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine
SMILESCCC/C=C1\C=CC=CN1/C=N/C
InChIInChI=1S/C11H16N2/c1-3-4-7-11-8-5-6-9-13(11)10-12-2/h5-10H,3-4H2,1-2H3/b11-7+,12-10+
InChIKeyFQMAUNNDRZIKQI-CRALUGIISA-N
MW176.26 g/mol
LogP2.71
Rot. Bonds3

About 1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine

1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine (PubChem CID 139397212) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine
PubChem CID139397212
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine
SMILESCCC/C=C1\C=CC=CN1/C=N/C
InChIInChI=1S/C11H16N2/c1-3-4-7-11-8-5-6-9-13(11)10-12-2/h5-10H,3-4H2,1-2H3/b11-7+,12-10+
InChIKeyFQMAUNNDRZIKQI-CRALUGIISA-N
XLogP2.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.71
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 1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine?
The IUPAC name of 1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine (CID 139397212) is 1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine.
What is the SMILES notation for 1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine?
The canonical SMILES for 1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine is CCC/C=C1\C=CC=CN1/C=N/C.
What is the InChIKey of 1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine?
The InChIKey is FQMAUNNDRZIKQI-CRALUGIISA-N. The full InChI is InChI=1S/C11H16N2/c1-3-4-7-11-8-5-6-9-13(11)10-12-2/h5-10H,3-4H2,1-2H3/b11-7+,12-10+.
What are the key properties of 1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine?
1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine has a molecular weight of 176.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine is sourced from PubChem (CID 139397212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).