2-(3-methyl-4-methylidenecyclohexa-1,5-dien-1-yl)ethanimine

C10H13N — CID 144852342

IUPAC2-(3-methyl-4-methylidenecyclohexa-1,5-dien-1-yl)ethanimine
SMILES[H]/N=C/CC1=CC(C)C(=C)C=C1
InChIInChI=1S/C10H13N/c1-8-3-4-10(5-6-11)7-9(8)2/h3-4,6-7,9,11H,1,5H2,2H3/b11-6+
InChIKeyYNJRDWJFVVUSLT-IZZDOVSWSA-N
MW147.22 g/mol
LogP2.71
Rot. Bonds2

About 2-(3-methyl-4-methylidenecyclohexa-1,5-dien-1-yl)ethanimine

2-(3-methyl-4-methylidenecyclohexa-1,5-dien-1-yl)ethanimine (PubChem CID 144852342) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-(3-methyl-4-methylidenecyclohexa-1,5-dien-1-yl)ethanimine.

Molecular Properties

Compound Name2-(3-methyl-4-methylidenecyclohexa-1,5-dien-1-yl)ethanimine
PubChem CID144852342
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2-(3-methyl-4-methylidenecyclohexa-1,5-dien-1-yl)ethanimine
SMILES[H]/N=C/CC1=CC(C)C(=C)C=C1
InChIInChI=1S/C10H13N/c1-8-3-4-10(5-6-11)7-9(8)2/h3-4,6-7,9,11H,1,5H2,2H3/b11-6+
InChIKeyYNJRDWJFVVUSLT-IZZDOVSWSA-N
XLogP2.71
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[5-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine
CID 139372794
(4-Fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine
CID 163700177
(2E)-7-methyl-2-(trifluoromethyl)octa-2,4-dien-1-imine
CID 173568444
(2E)-6-methyl-2-(trifluoromethyl)octa-2,4-dien-1-imine
CID 173568445
4-Methylnona-2,4,6,8-tetraen-1-imine
CID 91326389
(2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine
CID 143603539
Cyclohexa-2,4-dien-1-ylmethanimine
CID 19375494
(2E)-3-propan-2-ylpenta-2,4-dien-1-imine
CID 58352423
N-methyl-1-(6-methylcyclohexa-2,4-dien-1-yl)methanimine
CID 67966293
N-methyl-1-(4-methylcyclohexa-1,5-dien-1-yl)methanimine
CID 68026969
3,7-Dimethylocta-2,4,6-trien-1-imine
CID 73829488
(5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine
CID 87310176

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-methylidenecyclohexa-1,5-dien-1-yl)ethanimine?
The IUPAC name of 2-(3-methyl-4-methylidenecyclohexa-1,5-dien-1-yl)ethanimine (CID 144852342) is 2-(3-methyl-4-methylidenecyclohexa-1,5-dien-1-yl)ethanimine.
What is the SMILES notation for 2-(3-methyl-4-methylidenecyclohexa-1,5-dien-1-yl)ethanimine?
The canonical SMILES for 2-(3-methyl-4-methylidenecyclohexa-1,5-dien-1-yl)ethanimine is [H]/N=C/CC1=CC(C)C(=C)C=C1.
What is the InChIKey of 2-(3-methyl-4-methylidenecyclohexa-1,5-dien-1-yl)ethanimine?
The InChIKey is YNJRDWJFVVUSLT-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H13N/c1-8-3-4-10(5-6-11)7-9(8)2/h3-4,6-7,9,11H,1,5H2,2H3/b11-6+.
What are the key properties of 2-(3-methyl-4-methylidenecyclohexa-1,5-dien-1-yl)ethanimine?
2-(3-methyl-4-methylidenecyclohexa-1,5-dien-1-yl)ethanimine has a molecular weight of 147.22 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-methylidenecyclohexa-1,5-dien-1-yl)ethanimine is sourced from PubChem (CID 144852342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).