(Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-imine

C12H20N2 — CID 123977223

IUPAC(Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-imine
SMILES[H]/N=C(CCC)/C(/C=C\N=C\C)=C\CC
InChIInChI=1S/C12H20N2/c1-4-7-11(9-10-14-6-3)12(13)8-5-2/h6-7,9-10,13H,4-5,8H2,1-3H3/b10-9-,11-7-,13-12+,14-6+
InChIKeyBAWHRTCTJQZIRF-OVOVSVNDSA-N
MW192.31 g/mol
LogP3.75
Rot. Bonds6

About (Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-imine

(Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-imine (PubChem CID 123977223) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-imine.

Molecular Properties

Compound Name(Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-imine
PubChem CID123977223
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-imine
SMILES[H]/N=C(CCC)/C(/C=C\N=C\C)=C\CC
InChIInChI=1S/C12H20N2/c1-4-7-11(9-10-14-6-3)12(13)8-5-2/h6-7,9-10,13H,4-5,8H2,1-3H3/b10-9-,11-7-,13-12+,14-6+
InChIKeyBAWHRTCTJQZIRF-OVOVSVNDSA-N
XLogP3.75
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-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

(3Z,5Z,7Z)-2,3-bis[(3Z,5Z,7Z)-azocin-2-yl]azocine
CID 129643885
(3E)-3-fluoro-4-[[(5Z)-6-methyl-3-methylidene-4-propan-2-ylideneocta-5,7-dien-2-ylidene]amino]buta-1,3-dien-2-amine
CID 130336733
(4E,6Z)-4-(1-fluoroethenyl)-5-[(1R)-1-[[(2Z,4E)-hexa-2,4-dienylidene]amino]propyl]-7-methyl-N-[(Z)-prop-1-enyl]nona-1,4,6,8-tetraen-3-imine
CID 173799592
(1Z,4E)-1-(ethylideneamino)-5-[[(Z)-6-fluoro-5-methylidenehept-3-en-2-ylidene]amino]-4-methyl-3-methylidenepenta-1,4-dien-1-amine
CID 173816436
2,3-Bis(azocin-2-yl)azocine
CID 53665521
(4Z)-4-ethylidene-N-methylpyridin-3-imine
CID 68179746
(6Z)-6-[(2-methylpropylideneamino)methylidene]cyclohexa-2,4-dien-1-imine
CID 69924450
(1Z,3E)-4-(2H-azirin-3-yl)-5-methylhexa-1,3,5-trien-1-amine
CID 89089082
(2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine
CID 89159404
(1E)-1-[(4Z)-4-prop-2-enylidene-3-pyridinylidene]ethanamine
CID 89223414
(2Z,4E,8Z,10Z)-5-methyldodeca-2,4,8,10-tetraene-1,7-diimine
CID 89546275
(5Z)-5-[(Z)-but-2-enylidene]-3-[(Z)-3-iminoprop-1-enyl]-2-methylcyclopent-2-en-1-imine
CID 89697525

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-imine?
The IUPAC name of (Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-imine (CID 123977223) is (Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-imine.
What is the SMILES notation for (Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-imine?
The canonical SMILES for (Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-imine is [H]/N=C(CCC)/C(/C=C\N=C\C)=C\CC.
What is the InChIKey of (Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-imine?
The InChIKey is BAWHRTCTJQZIRF-OVOVSVNDSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-7-11(9-10-14-6-3)12(13)8-5-2/h6-7,9-10,13H,4-5,8H2,1-3H3/b10-9-,11-7-,13-12+,14-6+.
What are the key properties of (Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-imine?
(Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-imine has a molecular weight of 192.31 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-imine is sourced from PubChem (CID 123977223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).