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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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).