(E)-1-N-methyl-5-N-methylidene-3-(2-methylprop-1-enyl)pent-2-ene-1,4,5-triimine

C11H17N3 — CID 163547206

IUPAC(E)-1-N-methyl-5-N-methylidene-3-(2-methylprop-1-enyl)pent-2-ene-1,4,5-triimine
SMILES[H]/N=C(CN=C)/C(C=C(C)C)=C/C=N/C
InChIInChI=1S/C11H17N3/c1-9(2)7-10(5-6-13-3)11(12)8-14-4/h5-7,12H,4,8H2,1-3H3/b10-5+,12-11+,13-6+
InChIKeyFGAWONIAVBADKY-PZTPYOJSSA-N
MW191.28 g/mol
LogP2.30
Rot. Bonds5

About (E)-1-N-methyl-5-N-methylidene-3-(2-methylprop-1-enyl)pent-2-ene-1,4,5-triimine

(E)-1-N-methyl-5-N-methylidene-3-(2-methylprop-1-enyl)pent-2-ene-1,4,5-triimine (PubChem CID 163547206) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (E)-1-N-methyl-5-N-methylidene-3-(2-methylprop-1-enyl)pent-2-ene-1,4,5-triimine.

Molecular Properties

Compound Name(E)-1-N-methyl-5-N-methylidene-3-(2-methylprop-1-enyl)pent-2-ene-1,4,5-triimine
PubChem CID163547206
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(E)-1-N-methyl-5-N-methylidene-3-(2-methylprop-1-enyl)pent-2-ene-1,4,5-triimine
SMILES[H]/N=C(CN=C)/C(C=C(C)C)=C/C=N/C
InChIInChI=1S/C11H17N3/c1-9(2)7-10(5-6-13-3)11(12)8-14-4/h5-7,12H,4,8H2,1-3H3/b10-5+,12-11+,13-6+
InChIKeyFGAWONIAVBADKY-PZTPYOJSSA-N
XLogP2.30
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-N-methyl-5-N-methylidene-3-(2-methylprop-1-enyl)pent-2-ene-1,4,5-triimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E,6E)-8-N-butyl-7-(trifluoromethyl)deca-4,6,9-triene-2,8-diimine
CID 123558880
(E,2Z,3E)-5-(1,1-difluoroethyl)-2,3-di(ethylidene)-1-N-methylhept-4-ene-1,6-diimine
CID 143763245
(6Z)-6-[(2-methylpropylideneamino)methylidene]cyclohexa-2,4-dien-1-imine
CID 69924450
(6Z)-6-(2-iminoethylidene)cyclohexa-2,4-dien-1-imine
CID 88409253
4-methyl-2H-pyridin-3-imine
CID 89382802
(2Z,4E,8Z,10Z)-5-methyldodeca-2,4,8,10-tetraene-1,7-diimine
CID 89546275
(Z)-N'-ethyl-N-methyl-4,5-dimethylidenehex-2-ene-1,6-diimine
CID 89672783
(6Z)-6-[1-(ethylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine
CID 89712823
3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine
CID 90685395
(E,4Z)-6-methyl-3-methylidene-N-[(E)-propylideneamino]hepta-4,6-dien-2-imine
CID 90817774
(4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine
CID 90943080
3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine
CID 90957874

Frequently Asked Questions

What is the IUPAC name of (E)-1-N-methyl-5-N-methylidene-3-(2-methylprop-1-enyl)pent-2-ene-1,4,5-triimine?
The IUPAC name of (E)-1-N-methyl-5-N-methylidene-3-(2-methylprop-1-enyl)pent-2-ene-1,4,5-triimine (CID 163547206) is (E)-1-N-methyl-5-N-methylidene-3-(2-methylprop-1-enyl)pent-2-ene-1,4,5-triimine.
What is the SMILES notation for (E)-1-N-methyl-5-N-methylidene-3-(2-methylprop-1-enyl)pent-2-ene-1,4,5-triimine?
The canonical SMILES for (E)-1-N-methyl-5-N-methylidene-3-(2-methylprop-1-enyl)pent-2-ene-1,4,5-triimine is [H]/N=C(CN=C)/C(C=C(C)C)=C/C=N/C.
What is the InChIKey of (E)-1-N-methyl-5-N-methylidene-3-(2-methylprop-1-enyl)pent-2-ene-1,4,5-triimine?
The InChIKey is FGAWONIAVBADKY-PZTPYOJSSA-N. The full InChI is InChI=1S/C11H17N3/c1-9(2)7-10(5-6-13-3)11(12)8-14-4/h5-7,12H,4,8H2,1-3H3/b10-5+,12-11+,13-6+.
What are the key properties of (E)-1-N-methyl-5-N-methylidene-3-(2-methylprop-1-enyl)pent-2-ene-1,4,5-triimine?
(E)-1-N-methyl-5-N-methylidene-3-(2-methylprop-1-enyl)pent-2-ene-1,4,5-triimine has a molecular weight of 191.28 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N-methyl-5-N-methylidene-3-(2-methylprop-1-enyl)pent-2-ene-1,4,5-triimine is sourced from PubChem (CID 163547206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).