(Z)-2-ethyl-N-[(2Z)-6-(methylideneamino)hepta-2,5-dien-2-yl]but-2-en-1-imine

C14H22N2 — CID 123852907

IUPAC(Z)-2-ethyl-N-[(2Z)-6-(methylideneamino)hepta-2,5-dien-2-yl]but-2-en-1-imine
SMILESC=NC(C)=CC/C=C(C)\N=C\C(=C/C)CC
InChIInChI=1S/C14H22N2/c1-6-14(7-2)11-16-13(4)10-8-9-12(3)15-5/h6,9-11H,5,7-8H2,1-4H3/b12-9?,13-10-,14-6-,16-11+
InChIKeyFXEZLVDFSNBNOG-MLBIWAPBSA-N
MW218.34 g/mol
LogP4.31
Rot. Bonds6

About (Z)-2-ethyl-N-[(2Z)-6-(methylideneamino)hepta-2,5-dien-2-yl]but-2-en-1-imine

(Z)-2-ethyl-N-[(2Z)-6-(methylideneamino)hepta-2,5-dien-2-yl]but-2-en-1-imine (PubChem CID 123852907) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (Z)-2-ethyl-N-[(2Z)-6-(methylideneamino)hepta-2,5-dien-2-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-ethyl-N-[(2Z)-6-(methylideneamino)hepta-2,5-dien-2-yl]but-2-en-1-imine
PubChem CID123852907
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(Z)-2-ethyl-N-[(2Z)-6-(methylideneamino)hepta-2,5-dien-2-yl]but-2-en-1-imine
SMILESC=NC(C)=CC/C=C(C)\N=C\C(=C/C)CC
InChIInChI=1S/C14H22N2/c1-6-14(7-2)11-16-13(4)10-8-9-12(3)15-5/h6,9-11H,5,7-8H2,1-4H3/b12-9?,13-10-,14-6-,16-11+
InChIKeyFXEZLVDFSNBNOG-MLBIWAPBSA-N
XLogP4.31
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-ethyl-N-[(2Z)-6-(methylideneamino)hepta-2,5-dien-2-yl]but-2-en-1-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

(Z)-2-ethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-en-1-imine
CID 89210806
N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 123975815
(Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine
CID 134374866
N-[(Z)-pent-2-en-3-yl]-2-(trifluoromethyl)prop-2-en-1-imine
CID 142010061
(E)-N-(3-methylpent-2-en-2-yl)-2-(trifluoromethyl)but-2-en-1-imine
CID 153358122
(E)-N-[(E)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 168972609
(E)-N-[(Z)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 171492718
(E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine
CID 171493102
(E)-N-[(Z)-but-2-en-2-yl]-2-(1,1-difluoroethyl)but-2-en-1-imine
CID 171493156
(E)-N-tert-butyl-2-methylpent-2-en-1-imine
CID 10582977
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(Z)-N-[(Z)-but-2-en-2-yl]-2-fluoro-3-methylpent-2-en-1-imine
CID 142120575

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-N-[(2Z)-6-(methylideneamino)hepta-2,5-dien-2-yl]but-2-en-1-imine?
The IUPAC name of (Z)-2-ethyl-N-[(2Z)-6-(methylideneamino)hepta-2,5-dien-2-yl]but-2-en-1-imine (CID 123852907) is (Z)-2-ethyl-N-[(2Z)-6-(methylideneamino)hepta-2,5-dien-2-yl]but-2-en-1-imine.
What is the SMILES notation for (Z)-2-ethyl-N-[(2Z)-6-(methylideneamino)hepta-2,5-dien-2-yl]but-2-en-1-imine?
The canonical SMILES for (Z)-2-ethyl-N-[(2Z)-6-(methylideneamino)hepta-2,5-dien-2-yl]but-2-en-1-imine is C=NC(C)=CC/C=C(C)\N=C\C(=C/C)CC.
What is the InChIKey of (Z)-2-ethyl-N-[(2Z)-6-(methylideneamino)hepta-2,5-dien-2-yl]but-2-en-1-imine?
The InChIKey is FXEZLVDFSNBNOG-MLBIWAPBSA-N. The full InChI is InChI=1S/C14H22N2/c1-6-14(7-2)11-16-13(4)10-8-9-12(3)15-5/h6,9-11H,5,7-8H2,1-4H3/b12-9?,13-10-,14-6-,16-11+.
What are the key properties of (Z)-2-ethyl-N-[(2Z)-6-(methylideneamino)hepta-2,5-dien-2-yl]but-2-en-1-imine?
(Z)-2-ethyl-N-[(2Z)-6-(methylideneamino)hepta-2,5-dien-2-yl]but-2-en-1-imine has a molecular weight of 218.34 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-N-[(2Z)-6-(methylideneamino)hepta-2,5-dien-2-yl]but-2-en-1-imine is sourced from PubChem (CID 123852907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).