2-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine

C9H13N — CID 123830887

IUPAC2-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine
SMILES[H]/N=C/CC1C=C(C)C=CC1
InChIInChI=1S/C9H13N/c1-8-3-2-4-9(7-8)5-6-10/h2-3,6-7,9-10H,4-5H2,1H3/b10-6+
InChIKeyMNVJAKCJYLHPPX-UXBLZVDNSA-N
MW135.21 g/mol
LogP2.55
Rot. Bonds2

About 2-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine

2-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine (PubChem CID 123830887) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine.

Molecular Properties

Compound Name2-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine
PubChem CID123830887
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine
SMILES[H]/N=C/CC1C=C(C)C=CC1
InChIInChI=1S/C9H13N/c1-8-3-2-4-9(7-8)5-6-10/h2-3,6-7,9-10H,4-5H2,1H3/b10-6+
InChIKeyMNVJAKCJYLHPPX-UXBLZVDNSA-N
XLogP2.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.55
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

2-[5-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-imine
CID 123684141
[5-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine
CID 139372794
(4-Fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine
CID 163700177
(6Z)-2-ethyl-5-(trifluoromethyl)octa-4,6-dien-1-imine
CID 145644627
Cyclohexa-2,4-dien-1-ylmethanimine
CID 19375494
7-Bicyclo[4.2.0]octa-3,5-dienylmethanimine
CID 57147783
(2E)-3-propan-2-ylpenta-2,4-dien-1-imine
CID 58352423
(4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine
CID 87160355
(4-Methylcyclohexa-2,4-dien-1-yl)methanimine
CID 88562250
(3Z,5Z)-2-methylhepta-3,5-dien-1-imine
CID 88580906
1-(4-Ethylcyclohexa-2,4-dien-1-yl)ethanimine
CID 88946462
(6Z,8Z)-4-propylundeca-6,8,10-trien-1-imine
CID 88960923

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine?
The IUPAC name of 2-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine (CID 123830887) is 2-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine.
What is the SMILES notation for 2-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine?
The canonical SMILES for 2-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine is [H]/N=C/CC1C=C(C)C=CC1.
What is the InChIKey of 2-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine?
The InChIKey is MNVJAKCJYLHPPX-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H13N/c1-8-3-2-4-9(7-8)5-6-10/h2-3,6-7,9-10H,4-5H2,1H3/b10-6+.
What are the key properties of 2-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine?
2-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine has a molecular weight of 135.21 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine is sourced from PubChem (CID 123830887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).