1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine

C19H27N — CID 90743390

IUPAC1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine
SMILESC=C(C=CC(=C)C(C)C1=CCCC=C1/C(C)=N/C)CC
InChIInChI=1S/C19H27N/c1-7-14(2)12-13-15(3)16(4)18-10-8-9-11-19(18)17(5)20-6/h10-13,16H,2-3,7-9H2,1,4-6H3/b13-12?,20-17+
InChIKeyJVUPBYQDMHKNQW-BQNJPBJASA-N
MW269.43 g/mol
LogP5.44
Rot. Bonds6

About 1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine

1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine (PubChem CID 90743390) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine.

Molecular Properties

Compound Name1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine
PubChem CID90743390
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine
SMILESC=C(C=CC(=C)C(C)C1=CCCC=C1/C(C)=N/C)CC
InChIInChI=1S/C19H27N/c1-7-14(2)12-13-15(3)16(4)18-10-8-9-11-19(18)17(5)20-6/h10-13,16H,2-3,7-9H2,1,4-6H3/b13-12?,20-17+
InChIKeyJVUPBYQDMHKNQW-BQNJPBJASA-N
XLogP5.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine with MolForge

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Related Compounds

(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
CID 123416100
(6E)-2-fluoro-N-methyl-6-[1-(1-methylcyclopropyl)-2-methylidenebutylidene]cyclohexa-2,4-dien-1-imine
CID 176962375
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
N,2,5,5-tetramethylcyclohex-2-en-1-imine
CID 86038796
(8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine
CID 143491167
(8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine
CID 143491216
(Z)-N-ethenyl-3-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethylhept-3-en-2-imine
CID 144383744
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
N,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
CID 20827637
N,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 58916542
1-cyclohexa-1,3-dien-1-yl-N-methylethanimine
CID 59809510
N,2,3-trimethylcyclohex-3-en-1-imine
CID 68029995

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine?
The IUPAC name of 1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine (CID 90743390) is 1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine.
What is the SMILES notation for 1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine?
The canonical SMILES for 1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine is C=C(C=CC(=C)C(C)C1=CCCC=C1/C(C)=N/C)CC.
What is the InChIKey of 1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine?
The InChIKey is JVUPBYQDMHKNQW-BQNJPBJASA-N. The full InChI is InChI=1S/C19H27N/c1-7-14(2)12-13-15(3)16(4)18-10-8-9-11-19(18)17(5)20-6/h10-13,16H,2-3,7-9H2,1,4-6H3/b13-12?,20-17+.
What are the key properties of 1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine?
1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine has a molecular weight of 269.43 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine is sourced from PubChem (CID 90743390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).