(5Z)-6,7-dimethylocta-5,7-dien-3-imine

C10H17N — CID 90932382

IUPAC(5Z)-6,7-dimethylocta-5,7-dien-3-imine
SMILES[H]/N=C(\CC)C/C=C(/C)C(=C)C
InChIInChI=1S/C10H17N/c1-5-10(11)7-6-9(4)8(2)3/h6,11H,2,5,7H2,1,3-4H3/b9-6-,11-10+
InChIKeyNDBKWJPQQREQCB-KBCDKWTQSA-N
MW151.25 g/mol
LogP3.33
Rot. Bonds4

About (5Z)-6,7-dimethylocta-5,7-dien-3-imine

(5Z)-6,7-dimethylocta-5,7-dien-3-imine (PubChem CID 90932382) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (5Z)-6,7-dimethylocta-5,7-dien-3-imine.

Molecular Properties

Compound Name(5Z)-6,7-dimethylocta-5,7-dien-3-imine
PubChem CID90932382
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(5Z)-6,7-dimethylocta-5,7-dien-3-imine
SMILES[H]/N=C(\CC)C/C=C(/C)C(=C)C
InChIInChI=1S/C10H17N/c1-5-10(11)7-6-9(4)8(2)3/h6,11H,2,5,7H2,1,3-4H3/b9-6-,11-10+
InChIKeyNDBKWJPQQREQCB-KBCDKWTQSA-N
XLogP3.33
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.33
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

4-(4-Imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-imine
CID 10950233
6,10,15,19,23-Pentamethyltetracosa-6,10,14,18,22-pentaen-2-imine
CID 53649182
Toluquinone diimine
CID 57641797
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
5-Fluoro-6-methylhepta-4,6-dien-2-imine
CID 123502589
(3E,5Z)-3-ethylidene-5-[(E)-1-fluoroprop-1-enyl]octa-1,5,7-trien-4-imine
CID 132066393
(3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine
CID 134217364
(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
(3E,5E)-3-ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 144000603
(6E)-6-ethylidene-5-fluoro-3-methylcyclohexa-2,4-dien-1-imine
CID 144524442
(3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine
CID 154987810

Frequently Asked Questions

What is the IUPAC name of (5Z)-6,7-dimethylocta-5,7-dien-3-imine?
The IUPAC name of (5Z)-6,7-dimethylocta-5,7-dien-3-imine (CID 90932382) is (5Z)-6,7-dimethylocta-5,7-dien-3-imine.
What is the SMILES notation for (5Z)-6,7-dimethylocta-5,7-dien-3-imine?
The canonical SMILES for (5Z)-6,7-dimethylocta-5,7-dien-3-imine is [H]/N=C(\CC)C/C=C(/C)C(=C)C.
What is the InChIKey of (5Z)-6,7-dimethylocta-5,7-dien-3-imine?
The InChIKey is NDBKWJPQQREQCB-KBCDKWTQSA-N. The full InChI is InChI=1S/C10H17N/c1-5-10(11)7-6-9(4)8(2)3/h6,11H,2,5,7H2,1,3-4H3/b9-6-,11-10+.
What are the key properties of (5Z)-6,7-dimethylocta-5,7-dien-3-imine?
(5Z)-6,7-dimethylocta-5,7-dien-3-imine has a molecular weight of 151.25 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-6,7-dimethylocta-5,7-dien-3-imine is sourced from PubChem (CID 90932382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).