2-ethyl-4-methylcyclohepta-2,6-dien-1-imine

C10H15N — CID 123572930

IUPAC2-ethyl-4-methylcyclohepta-2,6-dien-1-imine
SMILES[H]/N=C1\C=CCC(C)C=C1CC
InChIInChI=1S/C10H15N/c1-3-9-7-8(2)5-4-6-10(9)11/h4,6-8,11H,3,5H2,1-2H3/b11-10+
InChIKeyOYSUUNYLBOGMPG-ZHACJKMWSA-N
MW149.24 g/mol
LogP2.94
Rot. Bonds1

About 2-ethyl-4-methylcyclohepta-2,6-dien-1-imine

2-ethyl-4-methylcyclohepta-2,6-dien-1-imine (PubChem CID 123572930) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-ethyl-4-methylcyclohepta-2,6-dien-1-imine.

Molecular Properties

Compound Name2-ethyl-4-methylcyclohepta-2,6-dien-1-imine
PubChem CID123572930
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-ethyl-4-methylcyclohepta-2,6-dien-1-imine
SMILES[H]/N=C1\C=CCC(C)C=C1CC
InChIInChI=1S/C10H15N/c1-3-9-7-8(2)5-4-6-10(9)11/h4,6-8,11H,3,5H2,1-2H3/b11-10+
InChIKeyOYSUUNYLBOGMPG-ZHACJKMWSA-N
XLogP2.94
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 ≤ 52.94
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 2-ethyl-4-methylcyclohepta-2,6-dien-1-imine?
The IUPAC name of 2-ethyl-4-methylcyclohepta-2,6-dien-1-imine (CID 123572930) is 2-ethyl-4-methylcyclohepta-2,6-dien-1-imine.
What is the SMILES notation for 2-ethyl-4-methylcyclohepta-2,6-dien-1-imine?
The canonical SMILES for 2-ethyl-4-methylcyclohepta-2,6-dien-1-imine is [H]/N=C1\C=CCC(C)C=C1CC.
What is the InChIKey of 2-ethyl-4-methylcyclohepta-2,6-dien-1-imine?
The InChIKey is OYSUUNYLBOGMPG-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H15N/c1-3-9-7-8(2)5-4-6-10(9)11/h4,6-8,11H,3,5H2,1-2H3/b11-10+.
What are the key properties of 2-ethyl-4-methylcyclohepta-2,6-dien-1-imine?
2-ethyl-4-methylcyclohepta-2,6-dien-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methylcyclohepta-2,6-dien-1-imine is sourced from PubChem (CID 123572930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).