(5Z,7E)-3,8-dimethyldeca-5,7-dien-4-imine

C12H21N — CID 123335649

IUPAC(5Z,7E)-3,8-dimethyldeca-5,7-dien-4-imine
SMILES[H]/N=C(/C=C\C=C(/C)CC)C(C)CC
InChIInChI=1S/C12H21N/c1-5-10(3)8-7-9-12(13)11(4)6-2/h7-9,11,13H,5-6H2,1-4H3/b9-7-,10-8+,13-12-
InChIKeyCZPJYKPMCFJZSW-WRSDQDOQSA-N
MW179.31 g/mol
LogP3.96
Rot. Bonds5

About (5Z,7E)-3,8-dimethyldeca-5,7-dien-4-imine

(5Z,7E)-3,8-dimethyldeca-5,7-dien-4-imine (PubChem CID 123335649) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (5Z,7E)-3,8-dimethyldeca-5,7-dien-4-imine.

Molecular Properties

Compound Name(5Z,7E)-3,8-dimethyldeca-5,7-dien-4-imine
PubChem CID123335649
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(5Z,7E)-3,8-dimethyldeca-5,7-dien-4-imine
SMILES[H]/N=C(/C=C\C=C(/C)CC)C(C)CC
InChIInChI=1S/C12H21N/c1-5-10(3)8-7-9-12(13)11(4)6-2/h7-9,11,13H,5-6H2,1-4H3/b9-7-,10-8+,13-12-
InChIKeyCZPJYKPMCFJZSW-WRSDQDOQSA-N
XLogP3.96
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.96
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-Methyl-2-imino-3,5-cyclohexadiene
CID 14398589
1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
(3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine
CID 91250232
1-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanimine
CID 118422299
(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
(3E,5Z)-3-ethylidene-5-[(E)-1-fluoroprop-1-enyl]octa-1,5,7-trien-4-imine
CID 132066393
(5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine
CID 135254636
(Z)-2,2-difluoro-7-methylidenedec-5-en-4-imine
CID 143588764
(2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine
CID 155049255
(4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine
CID 174289820
(3Z,5E)-3-(fluoromethyl)-6-methylnona-3,5,8-trien-2-imine
CID 174316429

Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-3,8-dimethyldeca-5,7-dien-4-imine?
The IUPAC name of (5Z,7E)-3,8-dimethyldeca-5,7-dien-4-imine (CID 123335649) is (5Z,7E)-3,8-dimethyldeca-5,7-dien-4-imine.
What is the SMILES notation for (5Z,7E)-3,8-dimethyldeca-5,7-dien-4-imine?
The canonical SMILES for (5Z,7E)-3,8-dimethyldeca-5,7-dien-4-imine is [H]/N=C(/C=C\C=C(/C)CC)C(C)CC.
What is the InChIKey of (5Z,7E)-3,8-dimethyldeca-5,7-dien-4-imine?
The InChIKey is CZPJYKPMCFJZSW-WRSDQDOQSA-N. The full InChI is InChI=1S/C12H21N/c1-5-10(3)8-7-9-12(13)11(4)6-2/h7-9,11,13H,5-6H2,1-4H3/b9-7-,10-8+,13-12-.
What are the key properties of (5Z,7E)-3,8-dimethyldeca-5,7-dien-4-imine?
(5Z,7E)-3,8-dimethyldeca-5,7-dien-4-imine has a molecular weight of 179.31 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-3,8-dimethyldeca-5,7-dien-4-imine is sourced from PubChem (CID 123335649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).