(5Z)-5-methyl-4-propan-2-ylidenehepta-1,5-dien-3-imine

C11H17N — CID 89351746

IUPAC(5Z)-5-methyl-4-propan-2-ylidenehepta-1,5-dien-3-imine
SMILESC/C=C(/C)\C(=C(C)C)C(=N)C=C
InChIInChI=1S/C11H17N/c1-6-9(5)11(8(3)4)10(12)7-2/h6-7,12H,2H2,1,3-5H3/b9-6-,12-10?
InChIKeyFXMYEHRTYWNZQC-UHSJMQQQSA-N
MW163.26 g/mol
LogP3.70
Rot. Bonds3

About (5Z)-5-methyl-4-propan-2-ylidenehepta-1,5-dien-3-imine

(5Z)-5-methyl-4-propan-2-ylidenehepta-1,5-dien-3-imine (PubChem CID 89351746) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (5Z)-5-methyl-4-propan-2-ylidenehepta-1,5-dien-3-imine.

Molecular Properties

Compound Name(5Z)-5-methyl-4-propan-2-ylidenehepta-1,5-dien-3-imine
PubChem CID89351746
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(5Z)-5-methyl-4-propan-2-ylidenehepta-1,5-dien-3-imine
SMILESC/C=C(/C)\C(=C(C)C)C(=N)C=C
InChIInChI=1S/C11H17N/c1-6-9(5)11(8(3)4)10(12)7-2/h6-7,12H,2H2,1,3-5H3/b9-6-,12-10?
InChIKeyFXMYEHRTYWNZQC-UHSJMQQQSA-N
XLogP3.70
TPSA23.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity250

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.70
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

6-Methylenecyclohexa-2,4-dienimine
CID 10909510
4-(4-Imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-imine
CID 10950233
Toluquinone diimine
CID 57641797
1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
(4-Propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 86016874
Dibenzocycloheptenimin
CID 129628903
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
4-Ethyl-5-fluorohepta-4,6-dien-3-imine
CID 123295188
5-Fluoro-6-methylhepta-4,6-dien-2-imine
CID 123502589
(5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine
CID 123873008
(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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-methyl-4-propan-2-ylidenehepta-1,5-dien-3-imine?
The IUPAC name of (5Z)-5-methyl-4-propan-2-ylidenehepta-1,5-dien-3-imine (CID 89351746) is (5Z)-5-methyl-4-propan-2-ylidenehepta-1,5-dien-3-imine.
What is the SMILES notation for (5Z)-5-methyl-4-propan-2-ylidenehepta-1,5-dien-3-imine?
The canonical SMILES for (5Z)-5-methyl-4-propan-2-ylidenehepta-1,5-dien-3-imine is C/C=C(/C)\C(=C(C)C)C(=N)C=C.
What is the InChIKey of (5Z)-5-methyl-4-propan-2-ylidenehepta-1,5-dien-3-imine?
The InChIKey is FXMYEHRTYWNZQC-UHSJMQQQSA-N. The full InChI is InChI=1S/C11H17N/c1-6-9(5)11(8(3)4)10(12)7-2/h6-7,12H,2H2,1,3-5H3/b9-6-,12-10?.
What are the key properties of (5Z)-5-methyl-4-propan-2-ylidenehepta-1,5-dien-3-imine?
(5Z)-5-methyl-4-propan-2-ylidenehepta-1,5-dien-3-imine has a molecular weight of 163.26 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-methyl-4-propan-2-ylidenehepta-1,5-dien-3-imine is sourced from PubChem (CID 89351746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).