(2Z,4Z)-3-methylhexa-2,4-dien-1-imine

C7H11N — CID 88581069

IUPAC(2Z,4Z)-3-methylhexa-2,4-dien-1-imine
SMILESC/C=C\C(=C/C=N)\C
InChIInChI=1S/C7H11N/c1-3-4-7(2)5-6-8/h3-6,8H,1-2H3/b4-3-,7-5-,8-6?
InChIKeyFZHOJZCJXQXIOR-BPMXODMASA-N
MW109.17 g/mol
LogP1.90
Rot. Bonds2

About (2Z,4Z)-3-methylhexa-2,4-dien-1-imine

(2Z,4Z)-3-methylhexa-2,4-dien-1-imine (PubChem CID 88581069) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (2Z,4Z)-3-methylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-3-methylhexa-2,4-dien-1-imine
PubChem CID88581069
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(2Z,4Z)-3-methylhexa-2,4-dien-1-imine
SMILESC/C=C\C(=C/C=N)\C
InChIInChI=1S/C7H11N/c1-3-4-7(2)5-6-8/h3-6,8H,1-2H3/b4-3-,7-5-,8-6?
InChIKeyFZHOJZCJXQXIOR-BPMXODMASA-N
XLogP1.90
TPSA23.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity120

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.90
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

(Z)-pent-2-en-1-imine
CID 44820632
Azahexadiene
CID 53732655
Cyclopenta-1,4-dien-1-ylmethanimine
CID 91263645
(2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine
CID 90273683
(2Z,4E)-5-fluoro-4-methylhexa-2,4-dien-1-imine
CID 117805560
(2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine
CID 118569105
(2E)-5-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine
CID 122494579
(2E,4E)-2-fluorohepta-2,4-dien-1-imine
CID 145395916
(2Z,4Z)-5-fluoro-4-methylpenta-2,4-dien-1-imine
CID 148480677
(2E,3Z,6E,8Z)-2-ethylidene-6-fluoro-5-methylidenedeca-3,6,8-trien-1-imine
CID 156073483
(2Z,4Z)-2-ethenyl-5-fluoro-4-methylpenta-2,4-dien-1-imine
CID 164068110
(2Z,3Z,5Z)-3-(fluoromethyl)-5,6-dimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 166669652

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-methylhexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-3-methylhexa-2,4-dien-1-imine (CID 88581069) is (2Z,4Z)-3-methylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-3-methylhexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-3-methylhexa-2,4-dien-1-imine is C/C=C\C(=C/C=N)\C.
What is the InChIKey of (2Z,4Z)-3-methylhexa-2,4-dien-1-imine?
The InChIKey is FZHOJZCJXQXIOR-BPMXODMASA-N. The full InChI is InChI=1S/C7H11N/c1-3-4-7(2)5-6-8/h3-6,8H,1-2H3/b4-3-,7-5-,8-6?.
What are the key properties of (2Z,4Z)-3-methylhexa-2,4-dien-1-imine?
(2Z,4Z)-3-methylhexa-2,4-dien-1-imine has a molecular weight of 109.17 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-methylhexa-2,4-dien-1-imine is sourced from PubChem (CID 88581069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).