1-(5,6-dimethylcyclohexa-1,3-dien-1-yl)ethanimine

C10H15N — CID 123574389

IUPAC1-(5,6-dimethylcyclohexa-1,3-dien-1-yl)ethanimine
SMILES[H]/N=C(\C)C1=CC=CC(C)C1C
InChIInChI=1S/C10H15N/c1-7-5-4-6-10(8(7)2)9(3)11/h4-8,11H,1-3H3/b11-9+
InChIKeyAHZJNPADEWZSDW-PKNBQFBNSA-N
MW149.24 g/mol
LogP2.79
Rot. Bonds1

About 1-(5,6-dimethylcyclohexa-1,3-dien-1-yl)ethanimine

1-(5,6-dimethylcyclohexa-1,3-dien-1-yl)ethanimine (PubChem CID 123574389) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1-(5,6-dimethylcyclohexa-1,3-dien-1-yl)ethanimine.

Molecular Properties

Compound Name1-(5,6-dimethylcyclohexa-1,3-dien-1-yl)ethanimine
PubChem CID123574389
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1-(5,6-dimethylcyclohexa-1,3-dien-1-yl)ethanimine
SMILES[H]/N=C(\C)C1=CC=CC(C)C1C
InChIInChI=1S/C10H15N/c1-7-5-4-6-10(8(7)2)9(3)11/h4-8,11H,1-3H3/b11-9+
InChIKeyAHZJNPADEWZSDW-PKNBQFBNSA-N
XLogP2.79
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.79
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

1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
6-Methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine
CID 123479377
9-Fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine
CID 123891038
3-Cyclohexa-1,5-dien-1-yl-4-(5,6-difluorocyclohexa-1,5-dien-1-yl)pentan-2-imine
CID 135190781
1-(4-Fluorocyclohexa-2,4-dien-1-yl)butan-1-imine
CID 143588132
Diazopseudocumol
CID 129639748
(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine
CID 142347280
(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine
CID 142417735
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
2,4,6-Trimethylcyclohexa-2,4-dien-1-imine
CID 18538402
2-Tert-butylcyclohexa-2,4-dien-1-imine
CID 18786242

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylcyclohexa-1,3-dien-1-yl)ethanimine?
The IUPAC name of 1-(5,6-dimethylcyclohexa-1,3-dien-1-yl)ethanimine (CID 123574389) is 1-(5,6-dimethylcyclohexa-1,3-dien-1-yl)ethanimine.
What is the SMILES notation for 1-(5,6-dimethylcyclohexa-1,3-dien-1-yl)ethanimine?
The canonical SMILES for 1-(5,6-dimethylcyclohexa-1,3-dien-1-yl)ethanimine is [H]/N=C(\C)C1=CC=CC(C)C1C.
What is the InChIKey of 1-(5,6-dimethylcyclohexa-1,3-dien-1-yl)ethanimine?
The InChIKey is AHZJNPADEWZSDW-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H15N/c1-7-5-4-6-10(8(7)2)9(3)11/h4-8,11H,1-3H3/b11-9+.
What are the key properties of 1-(5,6-dimethylcyclohexa-1,3-dien-1-yl)ethanimine?
1-(5,6-dimethylcyclohexa-1,3-dien-1-yl)ethanimine has a molecular weight of 149.24 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylcyclohexa-1,3-dien-1-yl)ethanimine is sourced from PubChem (CID 123574389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).