4,7-diethylcyclohepta-2,4-dien-1-imine

C11H17N — CID 123881746

IUPAC4,7-diethylcyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(CC)=CCC1CC
InChIInChI=1S/C11H17N/c1-3-9-5-7-10(4-2)11(12)8-6-9/h5-6,8,10,12H,3-4,7H2,1-2H3/b12-11+
InChIKeyIEHRIVFMHMXBCD-VAWYXSNFSA-N
MW163.26 g/mol
LogP3.33
Rot. Bonds2

About 4,7-diethylcyclohepta-2,4-dien-1-imine

4,7-diethylcyclohepta-2,4-dien-1-imine (PubChem CID 123881746) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 4,7-diethylcyclohepta-2,4-dien-1-imine.

Molecular Properties

Compound Name4,7-diethylcyclohepta-2,4-dien-1-imine
PubChem CID123881746
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name4,7-diethylcyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(CC)=CCC1CC
InChIInChI=1S/C11H17N/c1-3-9-5-7-10(4-2)11(12)8-6-9/h5-6,8,10,12H,3-4,7H2,1-2H3/b12-11+
InChIKeyIEHRIVFMHMXBCD-VAWYXSNFSA-N
XLogP3.33
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
3-[[2-(2-Fluoropropan-2-yl)-4,6,7-trimethylcyclohepta-1,3,6-trien-1-yl]methylidene]hexan-2-imine
CID 91334136
(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-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-(trifluoromethyl)cyclohepta-1,6-dien-1-yl]ethanimine
CID 135190461
(2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine
CID 155049255
(2Z,4E,8Z,10Z)-3,5-difluoro-2,6,7,11-tetramethylcycloundeca-2,4,8,10-tetraen-1-imine
CID 145383058
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
1-(3-Tert-butylcyclopenta-2,4-dien-1-yl)ethanimine
CID 57011604
6,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 57034986
4a,8-Dihydrobenzo[7]annulen-7-imine
CID 57269660

Frequently Asked Questions

What is the IUPAC name of 4,7-diethylcyclohepta-2,4-dien-1-imine?
The IUPAC name of 4,7-diethylcyclohepta-2,4-dien-1-imine (CID 123881746) is 4,7-diethylcyclohepta-2,4-dien-1-imine.
What is the SMILES notation for 4,7-diethylcyclohepta-2,4-dien-1-imine?
The canonical SMILES for 4,7-diethylcyclohepta-2,4-dien-1-imine is [H]/N=C1\C=CC(CC)=CCC1CC.
What is the InChIKey of 4,7-diethylcyclohepta-2,4-dien-1-imine?
The InChIKey is IEHRIVFMHMXBCD-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H17N/c1-3-9-5-7-10(4-2)11(12)8-6-9/h5-6,8,10,12H,3-4,7H2,1-2H3/b12-11+.
What are the key properties of 4,7-diethylcyclohepta-2,4-dien-1-imine?
4,7-diethylcyclohepta-2,4-dien-1-imine has a molecular weight of 163.26 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diethylcyclohepta-2,4-dien-1-imine is sourced from PubChem (CID 123881746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).