6-ethenyl-1,4-dimethyl-3,5-dimethylidene-7-[(Z)-prop-1-enyl]-1,4-diazepin-2-imine

C14H19N3 — CID 145256104

IUPAC6-ethenyl-1,4-dimethyl-3,5-dimethylidene-7-[(Z)-prop-1-enyl]-1,4-diazepin-2-imine
SMILES[H]/N=C1\C(=C)N(C)C(=C)C(C=C)=C(/C=C\C)N1C
InChIInChI=1S/C14H19N3/c1-7-9-13-12(8-2)10(3)16(5)11(4)14(15)17(13)6/h7-9,15H,2-4H2,1,5-6H3/b9-7-,15-14+
InChIKeyPGZBXGDMLGYTDL-DKWVFZHTSA-N
MW229.33 g/mol
LogP2.88
Rot. Bonds2

About 6-ethenyl-1,4-dimethyl-3,5-dimethylidene-7-[(Z)-prop-1-enyl]-1,4-diazepin-2-imine

6-ethenyl-1,4-dimethyl-3,5-dimethylidene-7-[(Z)-prop-1-enyl]-1,4-diazepin-2-imine (PubChem CID 145256104) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 6-ethenyl-1,4-dimethyl-3,5-dimethylidene-7-[(Z)-prop-1-enyl]-1,4-diazepin-2-imine.

Molecular Properties

Compound Name6-ethenyl-1,4-dimethyl-3,5-dimethylidene-7-[(Z)-prop-1-enyl]-1,4-diazepin-2-imine
PubChem CID145256104
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name6-ethenyl-1,4-dimethyl-3,5-dimethylidene-7-[(Z)-prop-1-enyl]-1,4-diazepin-2-imine
SMILES[H]/N=C1\C(=C)N(C)C(=C)C(C=C)=C(/C=C\C)N1C
InChIInChI=1S/C14H19N3/c1-7-9-13-12(8-2)10(3)16(5)11(4)14(15)17(13)6/h7-9,15H,2-4H2,1,5-6H3/b9-7-,15-14+
InChIKeyPGZBXGDMLGYTDL-DKWVFZHTSA-N
XLogP2.88
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-ethenyl-1,4-dimethyl-3,5-dimethylidene-7-[(Z)-prop-1-enyl]-1,4-diazepin-2-imine 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

N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide
CID 123226625
[(E)-[(3E)-4,6-dimethyl-5-methylidene-3-[1-(methylideneamino)ethylidene]-7-[(Z)-prop-1-enyl]-1H-1,4-diazepin-2-ylidene]amino]methanamine;ethane
CID 145382376
(Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide
CID 166739630
[(E)-[(3E)-4,6-dimethyl-5-methylidene-3-[1-(methylideneamino)ethylidene]-7-[(Z)-prop-1-enyl]-1H-1,4-diazepin-2-ylidene]amino]methanamine
CID 145382377
(Z)-N-(1-cyclohepta-1,4,6-trien-1-ylethenyl)-N-methylhex-3-enimidamide
CID 170977404

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-1,4-dimethyl-3,5-dimethylidene-7-[(Z)-prop-1-enyl]-1,4-diazepin-2-imine?
The IUPAC name of 6-ethenyl-1,4-dimethyl-3,5-dimethylidene-7-[(Z)-prop-1-enyl]-1,4-diazepin-2-imine (CID 145256104) is 6-ethenyl-1,4-dimethyl-3,5-dimethylidene-7-[(Z)-prop-1-enyl]-1,4-diazepin-2-imine.
What is the SMILES notation for 6-ethenyl-1,4-dimethyl-3,5-dimethylidene-7-[(Z)-prop-1-enyl]-1,4-diazepin-2-imine?
The canonical SMILES for 6-ethenyl-1,4-dimethyl-3,5-dimethylidene-7-[(Z)-prop-1-enyl]-1,4-diazepin-2-imine is [H]/N=C1\C(=C)N(C)C(=C)C(C=C)=C(/C=C\C)N1C.
What is the InChIKey of 6-ethenyl-1,4-dimethyl-3,5-dimethylidene-7-[(Z)-prop-1-enyl]-1,4-diazepin-2-imine?
The InChIKey is PGZBXGDMLGYTDL-DKWVFZHTSA-N. The full InChI is InChI=1S/C14H19N3/c1-7-9-13-12(8-2)10(3)16(5)11(4)14(15)17(13)6/h7-9,15H,2-4H2,1,5-6H3/b9-7-,15-14+.
What are the key properties of 6-ethenyl-1,4-dimethyl-3,5-dimethylidene-7-[(Z)-prop-1-enyl]-1,4-diazepin-2-imine?
6-ethenyl-1,4-dimethyl-3,5-dimethylidene-7-[(Z)-prop-1-enyl]-1,4-diazepin-2-imine has a molecular weight of 229.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1,4-dimethyl-3,5-dimethylidene-7-[(Z)-prop-1-enyl]-1,4-diazepin-2-imine is sourced from PubChem (CID 145256104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).