N-methyl-1-(5-methyl-3-methylidene-4H-pyridin-2-yl)methanimine;prop-1-ene

C12H18N2 — CID 177235272

IUPACN-methyl-1-(5-methyl-3-methylidene-4H-pyridin-2-yl)methanimine;prop-1-ene
SMILESC=C1CC(C)=CN=C1/C=N/C.C=CC
InChIInChI=1S/C9H12N2.C3H6/c1-7-4-8(2)9(6-10-3)11-5-7;1-3-2/h5-6H,2,4H2,1,3H3;3H,1H2,2H3/b10-6+;
InChIKeyFQSXWVXEOPQNCM-AAGWESIMSA-N
MW190.29 g/mol
LogP3.18
Rot. Bonds1

About N-methyl-1-(5-methyl-3-methylidene-4H-pyridin-2-yl)methanimine;prop-1-ene

N-methyl-1-(5-methyl-3-methylidene-4H-pyridin-2-yl)methanimine;prop-1-ene (PubChem CID 177235272) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-3-methylidene-4H-pyridin-2-yl)methanimine;prop-1-ene.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-3-methylidene-4H-pyridin-2-yl)methanimine;prop-1-ene
PubChem CID177235272
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-methyl-1-(5-methyl-3-methylidene-4H-pyridin-2-yl)methanimine;prop-1-ene
SMILESC=C1CC(C)=CN=C1/C=N/C.C=CC
InChIInChI=1S/C9H12N2.C3H6/c1-7-4-8(2)9(6-10-3)11-5-7;1-3-2/h5-6H,2,4H2,1,3H3;3H,1H2,2H3/b10-6+;
InChIKeyFQSXWVXEOPQNCM-AAGWESIMSA-N
XLogP3.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
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 N-methyl-1-(5-methyl-3-methylidene-4H-pyridin-2-yl)methanimine;prop-1-ene?
The IUPAC name of N-methyl-1-(5-methyl-3-methylidene-4H-pyridin-2-yl)methanimine;prop-1-ene (CID 177235272) is N-methyl-1-(5-methyl-3-methylidene-4H-pyridin-2-yl)methanimine;prop-1-ene.
What is the SMILES notation for N-methyl-1-(5-methyl-3-methylidene-4H-pyridin-2-yl)methanimine;prop-1-ene?
The canonical SMILES for N-methyl-1-(5-methyl-3-methylidene-4H-pyridin-2-yl)methanimine;prop-1-ene is C=C1CC(C)=CN=C1/C=N/C.C=CC.
What is the InChIKey of N-methyl-1-(5-methyl-3-methylidene-4H-pyridin-2-yl)methanimine;prop-1-ene?
The InChIKey is FQSXWVXEOPQNCM-AAGWESIMSA-N. The full InChI is InChI=1S/C9H12N2.C3H6/c1-7-4-8(2)9(6-10-3)11-5-7;1-3-2/h5-6H,2,4H2,1,3H3;3H,1H2,2H3/b10-6+;.
What are the key properties of N-methyl-1-(5-methyl-3-methylidene-4H-pyridin-2-yl)methanimine;prop-1-ene?
N-methyl-1-(5-methyl-3-methylidene-4H-pyridin-2-yl)methanimine;prop-1-ene has a molecular weight of 190.29 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-3-methylidene-4H-pyridin-2-yl)methanimine;prop-1-ene is sourced from PubChem (CID 177235272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).