(E)-2-methyl-3-(1,3,5-trimethyl-2-methylidene-4-pyridinyl)prop-2-en-1-imine

C13H18N2 — CID 167052086

IUPAC(E)-2-methyl-3-(1,3,5-trimethyl-2-methylidene-4-pyridinyl)prop-2-en-1-imine
SMILES[H]/N=C/C(C)=C/C1=C(C)C(=C)N(C)C=C1C
InChIInChI=1S/C13H18N2/c1-9(7-14)6-13-10(2)8-15(5)12(4)11(13)3/h6-8,14H,4H2,1-3,5H3/b9-6+,14-7+
InChIKeyGLTXOXZWRDBZMH-GTXFBGKMSA-N
MW202.30 g/mol
LogP3.26
Rot. Bonds2

About (E)-2-methyl-3-(1,3,5-trimethyl-2-methylidene-4-pyridinyl)prop-2-en-1-imine

(E)-2-methyl-3-(1,3,5-trimethyl-2-methylidene-4-pyridinyl)prop-2-en-1-imine (PubChem CID 167052086) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (E)-2-methyl-3-(1,3,5-trimethyl-2-methylidene-4-pyridinyl)prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-methyl-3-(1,3,5-trimethyl-2-methylidene-4-pyridinyl)prop-2-en-1-imine
PubChem CID167052086
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(E)-2-methyl-3-(1,3,5-trimethyl-2-methylidene-4-pyridinyl)prop-2-en-1-imine
SMILES[H]/N=C/C(C)=C/C1=C(C)C(=C)N(C)C=C1C
InChIInChI=1S/C13H18N2/c1-9(7-14)6-13-10(2)8-15(5)12(4)11(13)3/h6-8,14H,4H2,1-3,5H3/b9-6+,14-7+
InChIKeyGLTXOXZWRDBZMH-GTXFBGKMSA-N
XLogP3.26
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-2-methyl-3-(1,3,5-trimethyl-2-methylidene-4-pyridinyl)prop-2-en-1-imine?
The IUPAC name of (E)-2-methyl-3-(1,3,5-trimethyl-2-methylidene-4-pyridinyl)prop-2-en-1-imine (CID 167052086) is (E)-2-methyl-3-(1,3,5-trimethyl-2-methylidene-4-pyridinyl)prop-2-en-1-imine.
What is the SMILES notation for (E)-2-methyl-3-(1,3,5-trimethyl-2-methylidene-4-pyridinyl)prop-2-en-1-imine?
The canonical SMILES for (E)-2-methyl-3-(1,3,5-trimethyl-2-methylidene-4-pyridinyl)prop-2-en-1-imine is [H]/N=C/C(C)=C/C1=C(C)C(=C)N(C)C=C1C.
What is the InChIKey of (E)-2-methyl-3-(1,3,5-trimethyl-2-methylidene-4-pyridinyl)prop-2-en-1-imine?
The InChIKey is GLTXOXZWRDBZMH-GTXFBGKMSA-N. The full InChI is InChI=1S/C13H18N2/c1-9(7-14)6-13-10(2)8-15(5)12(4)11(13)3/h6-8,14H,4H2,1-3,5H3/b9-6+,14-7+.
What are the key properties of (E)-2-methyl-3-(1,3,5-trimethyl-2-methylidene-4-pyridinyl)prop-2-en-1-imine?
(E)-2-methyl-3-(1,3,5-trimethyl-2-methylidene-4-pyridinyl)prop-2-en-1-imine has a molecular weight of 202.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-(1,3,5-trimethyl-2-methylidene-4-pyridinyl)prop-2-en-1-imine is sourced from PubChem (CID 167052086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).