(2Z)-2-[(6E)-6-(1-cyclopropylethylidene)cyclohexa-2,4-dien-1-ylidene]ethanimine

C13H15N — CID 146293925

IUPAC(2Z)-2-[(6E)-6-(1-cyclopropylethylidene)cyclohexa-2,4-dien-1-ylidene]ethanimine
SMILES[H]/N=C/C=c1/cccc/c1=C(/C)C1CC1
InChIInChI=1S/C13H15N/c1-10(11-6-7-11)13-5-3-2-4-12(13)8-9-14/h2-5,8-9,11,14H,6-7H2,1H3/b12-8-,13-10+,14-9+
InChIKeyPBIIUCSJUJLQQT-QSBRNYSSSA-N
MW185.27 g/mol
LogP1.70
Rot. Bonds2

About (2Z)-2-[(6E)-6-(1-cyclopropylethylidene)cyclohexa-2,4-dien-1-ylidene]ethanimine

(2Z)-2-[(6E)-6-(1-cyclopropylethylidene)cyclohexa-2,4-dien-1-ylidene]ethanimine (PubChem CID 146293925) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is (2Z)-2-[(6E)-6-(1-cyclopropylethylidene)cyclohexa-2,4-dien-1-ylidene]ethanimine.

Molecular Properties

Compound Name(2Z)-2-[(6E)-6-(1-cyclopropylethylidene)cyclohexa-2,4-dien-1-ylidene]ethanimine
PubChem CID146293925
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name(2Z)-2-[(6E)-6-(1-cyclopropylethylidene)cyclohexa-2,4-dien-1-ylidene]ethanimine
SMILES[H]/N=C/C=c1/cccc/c1=C(/C)C1CC1
InChIInChI=1S/C13H15N/c1-10(11-6-7-11)13-5-3-2-4-12(13)8-9-14/h2-5,8-9,11,14H,6-7H2,1H3/b12-8-,13-10+,14-9+
InChIKeyPBIIUCSJUJLQQT-QSBRNYSSSA-N
XLogP1.70
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z)-2-[(6E)-6-(1-cyclopropylethylidene)cyclohexa-2,4-dien-1-ylidene]ethanimine 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

(4-Fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine
CID 163700177
(2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine
CID 143603539
(2E)-3-propan-2-ylpenta-2,4-dien-1-imine
CID 58352423
(2Z)-2-cyclopropyl-N-methylpenta-2,4-dien-1-imine
CID 88225763
(4-Methylcyclohexa-2,4-dien-1-yl)methanimine
CID 88562250
(Z)-3-cyclohexa-1,3-dien-1-ylprop-2-en-1-imine
CID 88997044
(2Z)-3-propan-2-ylpenta-2,4-dien-1-imine
CID 89372568
(4-Ethylcyclohexa-2,4-dien-1-yl)methanimine
CID 89404715
(2Z,4Z)-3-propan-2-ylhexa-2,4-dien-1-imine
CID 89663527
(2Z,4Z)-3-ethylhexa-2,4-dien-1-imine
CID 89698303
(Z)-3-(2-methylcyclohexa-2,4-dien-1-yl)prop-2-en-1-imine
CID 89703075
(2Z,4Z)-4-propan-2-ylhexa-2,4-dien-1-imine
CID 89708715

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(6E)-6-(1-cyclopropylethylidene)cyclohexa-2,4-dien-1-ylidene]ethanimine?
The IUPAC name of (2Z)-2-[(6E)-6-(1-cyclopropylethylidene)cyclohexa-2,4-dien-1-ylidene]ethanimine (CID 146293925) is (2Z)-2-[(6E)-6-(1-cyclopropylethylidene)cyclohexa-2,4-dien-1-ylidene]ethanimine.
What is the SMILES notation for (2Z)-2-[(6E)-6-(1-cyclopropylethylidene)cyclohexa-2,4-dien-1-ylidene]ethanimine?
The canonical SMILES for (2Z)-2-[(6E)-6-(1-cyclopropylethylidene)cyclohexa-2,4-dien-1-ylidene]ethanimine is [H]/N=C/C=c1/cccc/c1=C(/C)C1CC1.
What is the InChIKey of (2Z)-2-[(6E)-6-(1-cyclopropylethylidene)cyclohexa-2,4-dien-1-ylidene]ethanimine?
The InChIKey is PBIIUCSJUJLQQT-QSBRNYSSSA-N. The full InChI is InChI=1S/C13H15N/c1-10(11-6-7-11)13-5-3-2-4-12(13)8-9-14/h2-5,8-9,11,14H,6-7H2,1H3/b12-8-,13-10+,14-9+.
What are the key properties of (2Z)-2-[(6E)-6-(1-cyclopropylethylidene)cyclohexa-2,4-dien-1-ylidene]ethanimine?
(2Z)-2-[(6E)-6-(1-cyclopropylethylidene)cyclohexa-2,4-dien-1-ylidene]ethanimine has a molecular weight of 185.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(6E)-6-(1-cyclopropylethylidene)cyclohexa-2,4-dien-1-ylidene]ethanimine is sourced from PubChem (CID 146293925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).