1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanimine

C10H15N — CID 88946462

IUPAC1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanimine
SMILES[H]/N=C(\C)C1C=CC(CC)=CC1
InChIInChI=1S/C10H15N/c1-3-9-4-6-10(7-5-9)8(2)11/h4-6,10-11H,3,7H2,1-2H3/b11-8+
InChIKeyVHBZRSUCZOKMAJ-DHZHZOJOSA-N
MW149.24 g/mol
LogP2.94
Rot. Bonds2

About 1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanimine

1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanimine (PubChem CID 88946462) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanimine.

Molecular Properties

Compound Name1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanimine
PubChem CID88946462
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanimine
SMILES[H]/N=C(\C)C1C=CC(CC)=CC1
InChIInChI=1S/C10H15N/c1-3-9-4-6-10(7-5-9)8(2)11/h4-6,10-11H,3,7H2,1-2H3/b11-8+
InChIKeyVHBZRSUCZOKMAJ-DHZHZOJOSA-N
XLogP2.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.94
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-Methyl-2-imino-3,5-cyclohexadiene
CID 14398589
Toluquinone diimine
CID 57641797
1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
1-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanimine
CID 118422299
(5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine
CID 123873008
9-Fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine
CID 123891038
1-(4-Fluorocyclohexa-2,4-dien-1-yl)butan-1-imine
CID 143588132
(2S)-2-(4-fluorocyclohexa-1,5-dien-1-yl)cyclopropan-1-imine
CID 163487206
3-Fluoro-5-methyl-4-(3-methylbut-1-en-2-yl)-6-methylidenecyclohexa-2,4-dien-1-imine
CID 178827092
(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine
CID 142417735
1-Cyclohexa-2,4-dien-1-yl-2,2,2-trifluoroethanimine
CID 148638145
5-Methylcyclohexa-2,4-dien-1-imine
CID 14398591

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanimine?
The IUPAC name of 1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanimine (CID 88946462) is 1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanimine.
What is the SMILES notation for 1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanimine?
The canonical SMILES for 1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanimine is [H]/N=C(\C)C1C=CC(CC)=CC1.
What is the InChIKey of 1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanimine?
The InChIKey is VHBZRSUCZOKMAJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H15N/c1-3-9-4-6-10(7-5-9)8(2)11/h4-6,10-11H,3,7H2,1-2H3/b11-8+.
What are the key properties of 1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanimine?
1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanimine has a molecular weight of 149.24 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexa-2,4-dien-1-yl)ethanimine is sourced from PubChem (CID 88946462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).