(Z)-1-N-ethyl-3-methyl-2-N-[(1E)-2-methylcycloocta-1,3,7-trien-1-yl]pent-3-ene-1,2-diimine

C17H24N2 — CID 90829351

IUPAC(Z)-1-N-ethyl-3-methyl-2-N-[(1E)-2-methylcycloocta-1,3,7-trien-1-yl]pent-3-ene-1,2-diimine
SMILESC/C=C(C)\C(/C=N/CC)=N\C1=C(/C)C=CCCC=C1
InChIInChI=1S/C17H24N2/c1-5-14(3)17(13-18-6-2)19-16-12-10-8-7-9-11-15(16)4/h5,9-13H,6-8H2,1-4H3/b11-9?,12-10?,14-5-,16-15+,18-13+,19-17+
InChIKeyIAQNNOHYPJWPEP-HDHDSXDVSA-N
MW256.39 g/mol
LogP4.66
Rot. Bonds4

About (Z)-1-N-ethyl-3-methyl-2-N-[(1E)-2-methylcycloocta-1,3,7-trien-1-yl]pent-3-ene-1,2-diimine

(Z)-1-N-ethyl-3-methyl-2-N-[(1E)-2-methylcycloocta-1,3,7-trien-1-yl]pent-3-ene-1,2-diimine (PubChem CID 90829351) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (Z)-1-N-ethyl-3-methyl-2-N-[(1E)-2-methylcycloocta-1,3,7-trien-1-yl]pent-3-ene-1,2-diimine.

Molecular Properties

Compound Name(Z)-1-N-ethyl-3-methyl-2-N-[(1E)-2-methylcycloocta-1,3,7-trien-1-yl]pent-3-ene-1,2-diimine
PubChem CID90829351
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(Z)-1-N-ethyl-3-methyl-2-N-[(1E)-2-methylcycloocta-1,3,7-trien-1-yl]pent-3-ene-1,2-diimine
SMILESC/C=C(C)\C(/C=N/CC)=N\C1=C(/C)C=CCCC=C1
InChIInChI=1S/C17H24N2/c1-5-14(3)17(13-18-6-2)19-16-12-10-8-7-9-11-15(16)4/h5,9-13H,6-8H2,1-4H3/b11-9?,12-10?,14-5-,16-15+,18-13+,19-17+
InChIKeyIAQNNOHYPJWPEP-HDHDSXDVSA-N
XLogP4.66
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-N-ethyl-3-methyl-2-N-[(1E)-2-methylcycloocta-1,3,7-trien-1-yl]pent-3-ene-1,2-diimine 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,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
2-(4,5-Dimethylpyrrol-3-ylidene)indole
CID 123661071
Methyldiazepinoindole
CID 129801400
(E,2Z,3E)-6-N-(2,4-dimethylpenta-1,3-dien-3-yl)-2,3-di(ethylidene)-5-(2-fluoropropan-2-yl)-1-N-methylhept-4-ene-1,6-diimine
CID 143763318
(5Z)-2,12,13-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene
CID 23049989
(5Z)-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene
CID 23049991
8,15-Diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene
CID 56982993
(2Z,4Z,6Z)-2,3-di(propan-2-yl)azocine
CID 58763085
5-ethenyl-4-[(Z)-prop-1-enyl]-3H-pyrrole
CID 68300548
7-Methylindol-6-imine
CID 69466877
2,12,13-Trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene
CID 74015785
(Z)-N-[(4E,6Z)-4-ethenyl-6-methylnona-1,2,4,6-tetraen-3-yl]but-2-en-1-imine
CID 88886230

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-ethyl-3-methyl-2-N-[(1E)-2-methylcycloocta-1,3,7-trien-1-yl]pent-3-ene-1,2-diimine?
The IUPAC name of (Z)-1-N-ethyl-3-methyl-2-N-[(1E)-2-methylcycloocta-1,3,7-trien-1-yl]pent-3-ene-1,2-diimine (CID 90829351) is (Z)-1-N-ethyl-3-methyl-2-N-[(1E)-2-methylcycloocta-1,3,7-trien-1-yl]pent-3-ene-1,2-diimine.
What is the SMILES notation for (Z)-1-N-ethyl-3-methyl-2-N-[(1E)-2-methylcycloocta-1,3,7-trien-1-yl]pent-3-ene-1,2-diimine?
The canonical SMILES for (Z)-1-N-ethyl-3-methyl-2-N-[(1E)-2-methylcycloocta-1,3,7-trien-1-yl]pent-3-ene-1,2-diimine is C/C=C(C)\C(/C=N/CC)=N\C1=C(/C)C=CCCC=C1.
What is the InChIKey of (Z)-1-N-ethyl-3-methyl-2-N-[(1E)-2-methylcycloocta-1,3,7-trien-1-yl]pent-3-ene-1,2-diimine?
The InChIKey is IAQNNOHYPJWPEP-HDHDSXDVSA-N. The full InChI is InChI=1S/C17H24N2/c1-5-14(3)17(13-18-6-2)19-16-12-10-8-7-9-11-15(16)4/h5,9-13H,6-8H2,1-4H3/b11-9?,12-10?,14-5-,16-15+,18-13+,19-17+.
What are the key properties of (Z)-1-N-ethyl-3-methyl-2-N-[(1E)-2-methylcycloocta-1,3,7-trien-1-yl]pent-3-ene-1,2-diimine?
(Z)-1-N-ethyl-3-methyl-2-N-[(1E)-2-methylcycloocta-1,3,7-trien-1-yl]pent-3-ene-1,2-diimine has a molecular weight of 256.39 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-ethyl-3-methyl-2-N-[(1E)-2-methylcycloocta-1,3,7-trien-1-yl]pent-3-ene-1,2-diimine is sourced from PubChem (CID 90829351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).