5-ethenyl-6,7-dimethylnon-4-en-2-imine

C13H23N — CID 123328467

IUPAC5-ethenyl-6,7-dimethylnon-4-en-2-imine
SMILES[H]/N=C(\C)CC=C(C=C)C(C)C(C)CC
InChIInChI=1S/C13H23N/c1-6-10(3)12(5)13(7-2)9-8-11(4)14/h7,9-10,12,14H,2,6,8H2,1,3-5H3/b13-9?,14-11+
InChIKeyXHDXBYABPFWOKV-ZNNSLDMCSA-N
MW193.33 g/mol
LogP4.21
Rot. Bonds6

About 5-ethenyl-6,7-dimethylnon-4-en-2-imine

5-ethenyl-6,7-dimethylnon-4-en-2-imine (PubChem CID 123328467) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 5-ethenyl-6,7-dimethylnon-4-en-2-imine.

Molecular Properties

Compound Name5-ethenyl-6,7-dimethylnon-4-en-2-imine
PubChem CID123328467
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name5-ethenyl-6,7-dimethylnon-4-en-2-imine
SMILES[H]/N=C(\C)CC=C(C=C)C(C)C(C)CC
InChIInChI=1S/C13H23N/c1-6-10(3)12(5)13(7-2)9-8-11(4)14/h7,9-10,12,14H,2,6,8H2,1,3-5H3/b13-9?,14-11+
InChIKeyXHDXBYABPFWOKV-ZNNSLDMCSA-N
XLogP4.21
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
9-Fluoro-5,7-dimethyldodeca-7,9-dien-4-imine
CID 123799788
(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
3-Cyclohexa-1,5-dien-1-yl-4-(5,6-difluorocyclohexa-1,5-dien-1-yl)pentan-2-imine
CID 135190781
1-(4-Fluorocyclohexa-2,4-dien-1-yl)butan-1-imine
CID 143588132
(3E,7E)-2-ethyl-8-fluoro-5-methyl-4-prop-1-en-2-ylnona-3,7-dienimidoyl fluoride
CID 169981578
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
6,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 57034986
2,6-Dimethylcyclohexa-2,4-dien-1-imine
CID 66847916
(3S)-3-(4-octylcyclohexa-2,4-dien-1-yl)cyclopentan-1-imine
CID 68219189

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6,7-dimethylnon-4-en-2-imine?
The IUPAC name of 5-ethenyl-6,7-dimethylnon-4-en-2-imine (CID 123328467) is 5-ethenyl-6,7-dimethylnon-4-en-2-imine.
What is the SMILES notation for 5-ethenyl-6,7-dimethylnon-4-en-2-imine?
The canonical SMILES for 5-ethenyl-6,7-dimethylnon-4-en-2-imine is [H]/N=C(\C)CC=C(C=C)C(C)C(C)CC.
What is the InChIKey of 5-ethenyl-6,7-dimethylnon-4-en-2-imine?
The InChIKey is XHDXBYABPFWOKV-ZNNSLDMCSA-N. The full InChI is InChI=1S/C13H23N/c1-6-10(3)12(5)13(7-2)9-8-11(4)14/h7,9-10,12,14H,2,6,8H2,1,3-5H3/b13-9?,14-11+.
What are the key properties of 5-ethenyl-6,7-dimethylnon-4-en-2-imine?
5-ethenyl-6,7-dimethylnon-4-en-2-imine has a molecular weight of 193.33 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6,7-dimethylnon-4-en-2-imine is sourced from PubChem (CID 123328467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).