N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide

C14H22N2 — CID 123226625

IUPACN-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)C(=C)C(C=CC(=C)CC)=CC
InChIInChI=1S/C14H22N2/c1-7-11(3)9-10-14(8-2)12(4)16(6)13(5)15/h8-10,15H,3-4,7H2,1-2,5-6H3/b10-9?,14-8?,15-13+
InChIKeyZUBXWSNJMCQXJY-QXHAYZDRSA-N
MW218.34 g/mol
LogP3.90
Rot. Bonds5

About N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide

N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide (PubChem CID 123226625) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide.

Molecular Properties

Compound NameN-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide
PubChem CID123226625
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)C(=C)C(C=CC(=C)CC)=CC
InChIInChI=1S/C14H22N2/c1-7-11(3)9-10-14(8-2)12(4)16(6)13(5)15/h8-10,15H,3-4,7H2,1-2,5-6H3/b10-9?,14-8?,15-13+
InChIKeyZUBXWSNJMCQXJY-QXHAYZDRSA-N
XLogP3.90
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide 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

(2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide
CID 165410656
N-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide
CID 89402555
N-methyl-N-(6-methylidene-3-methyliminoocta-1,4-dien-2-yl)ethanimidamide
CID 123952851
6-[(1Z)-buta-1,3-dienyl]-5-methyl-1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 132099128
N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylethanimidamide
CID 142132215
(3Z,5Z)-5-amino-N-[(E)-but-2-en-2-yl]-6-(dimethylamino)-N-methylhepta-3,5-dienimidamide;buta-1,3-diene;ethane
CID 142994746
1-[(2E)-2-heptan-2-ylidene-1-pyridinyl]ethanimine
CID 143109268
1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane
CID 143424286
1,5-Dimethyl-3-methylidenepyrrol-2-imine
CID 143618670
ethane;(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide
CID 144559577
1-(2,3,4-trimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine
CID 145076280
1-Methanimidoyl-6-propan-2-ylpyridin-2-imine
CID 145187993

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide?
The IUPAC name of N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide (CID 123226625) is N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide.
What is the SMILES notation for N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide?
The canonical SMILES for N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide is [H]/N=C(\C)N(C)C(=C)C(C=CC(=C)CC)=CC.
What is the InChIKey of N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide?
The InChIKey is ZUBXWSNJMCQXJY-QXHAYZDRSA-N. The full InChI is InChI=1S/C14H22N2/c1-7-11(3)9-10-14(8-2)12(4)16(6)13(5)15/h8-10,15H,3-4,7H2,1-2,5-6H3/b10-9?,14-8?,15-13+.
What are the key properties of N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide?
N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide has a molecular weight of 218.34 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide is sourced from PubChem (CID 123226625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).