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

C11H17N — CID 91529593

IUPAC2-ethyl-6,6-dimethylcyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1\CC(C)(C)C=CC=C1CC
InChIInChI=1S/C11H17N/c1-4-9-6-5-7-11(2,3)8-10(9)12/h5-7,12H,4,8H2,1-3H3/b12-10+
InChIKeySNMMXFLHHXKPNW-ZRDIBKRKSA-N
MW163.26 g/mol
LogP3.33
Rot. Bonds1

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

2-ethyl-6,6-dimethylcyclohepta-2,4-dien-1-imine (PubChem CID 91529593) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-ethyl-6,6-dimethylcyclohepta-2,4-dien-1-imine.

Molecular Properties

Compound Name2-ethyl-6,6-dimethylcyclohepta-2,4-dien-1-imine
PubChem CID91529593
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-ethyl-6,6-dimethylcyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1\CC(C)(C)C=CC=C1CC
InChIInChI=1S/C11H17N/c1-4-9-6-5-7-11(2,3)8-10(9)12/h5-7,12H,4,8H2,1-3H3/b12-10+
InChIKeySNMMXFLHHXKPNW-ZRDIBKRKSA-N
XLogP3.33
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.33
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

(6E,8Z)-7-fluoro-2,2,8-trimethylundeca-6,8-dien-4-imine
CID 169927594
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
2-Tert-butylcyclohexa-2,4-dien-1-imine
CID 18786242
1-(2,5-Dimethylcyclohexa-1,3-dien-1-yl)butan-1-imine
CID 88907679
(4Z,6E)-7-methyldodeca-4,6-dien-3-imine
CID 90392057
4-[Ethyl(propan-2-yl)boranyl]-6,6-dimethylcyclohepta-2,4-dien-1-imine
CID 90770773
2-Cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine
CID 90793702
(3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine
CID 90880737
3,7-Dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,7-trien-5-imine
CID 91041769
4-(8-methyl-2,5,8,9-tetrahydro-1H-benzo[7]annulen-6-yl)butan-2-imine
CID 91076155
6-Methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine
CID 91130436
6,6-Dimethylcyclohepta-2,4-dien-1-imine
CID 91267490

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,6-dimethylcyclohepta-2,4-dien-1-imine?
The IUPAC name of 2-ethyl-6,6-dimethylcyclohepta-2,4-dien-1-imine (CID 91529593) is 2-ethyl-6,6-dimethylcyclohepta-2,4-dien-1-imine.
What is the SMILES notation for 2-ethyl-6,6-dimethylcyclohepta-2,4-dien-1-imine?
The canonical SMILES for 2-ethyl-6,6-dimethylcyclohepta-2,4-dien-1-imine is [H]/N=C1\CC(C)(C)C=CC=C1CC.
What is the InChIKey of 2-ethyl-6,6-dimethylcyclohepta-2,4-dien-1-imine?
The InChIKey is SNMMXFLHHXKPNW-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H17N/c1-4-9-6-5-7-11(2,3)8-10(9)12/h5-7,12H,4,8H2,1-3H3/b12-10+.
What are the key properties of 2-ethyl-6,6-dimethylcyclohepta-2,4-dien-1-imine?
2-ethyl-6,6-dimethylcyclohepta-2,4-dien-1-imine has a molecular weight of 163.26 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,6-dimethylcyclohepta-2,4-dien-1-imine is sourced from PubChem (CID 91529593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).