5,5,7,7-tetramethylcyclonon-3-ene-1,2-diimine

C13H22N2 — CID 123954671

IUPAC5,5,7,7-tetramethylcyclonon-3-ene-1,2-diimine
SMILES[H]/N=C1\C=CC(C)(C)CC(C)(C)CC\C1=N/[H]
InChIInChI=1S/C13H22N2/c1-12(2)7-5-10(14)11(15)6-8-13(3,4)9-12/h5,7,14-15H,6,8-9H2,1-4H3/b7-5?,14-10+,15-11+
InChIKeyQEMQHNMLYBJFFW-VNUFLFOLSA-N
MW206.33 g/mol
LogP3.82
Rot. Bonds

About 5,5,7,7-tetramethylcyclonon-3-ene-1,2-diimine

5,5,7,7-tetramethylcyclonon-3-ene-1,2-diimine (PubChem CID 123954671) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 5,5,7,7-tetramethylcyclonon-3-ene-1,2-diimine.

Molecular Properties

Compound Name5,5,7,7-tetramethylcyclonon-3-ene-1,2-diimine
PubChem CID123954671
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name5,5,7,7-tetramethylcyclonon-3-ene-1,2-diimine
SMILES[H]/N=C1\C=CC(C)(C)CC(C)(C)CC\C1=N/[H]
InChIInChI=1S/C13H22N2/c1-12(2)7-5-10(14)11(15)6-8-13(3,4)9-12/h5,7,14-15H,6,8-9H2,1-4H3/b7-5?,14-10+,15-11+
InChIKeyQEMQHNMLYBJFFW-VNUFLFOLSA-N
XLogP3.82
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-Methylpentan-2-yl)cyclohexa-2,5-diene-1,4-diimine
CID 56977683
2-Cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 58555275
Azane;3,5,5-trimethylcyclohex-2-en-1-imine
CID 69864880
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine
CID 87279105
(4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 87279106
2-Cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine
CID 90793702
4-(2,2,3,4-Tetramethylpentyl)cyclohex-2-en-1-imine
CID 91445250
6,6-Dimethylcyclohept-2-ene-1,4-diimine
CID 91566024
(E)-4-methyl-4-(2-methylbutan-2-yl)-N-(propan-2-ylideneamino)cyclohept-2-en-1-imine
CID 123139816
7-Ethyl-3,5,5-trimethylcyclohept-2-en-1-imine
CID 123236420
4-Hexylcyclohex-2-en-1-imine
CID 123354145

Frequently Asked Questions

What is the IUPAC name of 5,5,7,7-tetramethylcyclonon-3-ene-1,2-diimine?
The IUPAC name of 5,5,7,7-tetramethylcyclonon-3-ene-1,2-diimine (CID 123954671) is 5,5,7,7-tetramethylcyclonon-3-ene-1,2-diimine.
What is the SMILES notation for 5,5,7,7-tetramethylcyclonon-3-ene-1,2-diimine?
The canonical SMILES for 5,5,7,7-tetramethylcyclonon-3-ene-1,2-diimine is [H]/N=C1\C=CC(C)(C)CC(C)(C)CC\C1=N/[H].
What is the InChIKey of 5,5,7,7-tetramethylcyclonon-3-ene-1,2-diimine?
The InChIKey is QEMQHNMLYBJFFW-VNUFLFOLSA-N. The full InChI is InChI=1S/C13H22N2/c1-12(2)7-5-10(14)11(15)6-8-13(3,4)9-12/h5,7,14-15H,6,8-9H2,1-4H3/b7-5?,14-10+,15-11+.
What are the key properties of 5,5,7,7-tetramethylcyclonon-3-ene-1,2-diimine?
5,5,7,7-tetramethylcyclonon-3-ene-1,2-diimine has a molecular weight of 206.33 g/mol, XLogP of 3.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7,7-tetramethylcyclonon-3-ene-1,2-diimine is sourced from PubChem (CID 123954671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).