(2Z,4E)-N,2-dimethylhexa-2,4-dien-1-imine

C8H13N — CID 89207790

IUPAC(2Z,4E)-N,2-dimethylhexa-2,4-dien-1-imine
SMILESC/C=C/C=C(C)\C=N\C
InChIInChI=1S/C8H13N/c1-4-5-6-8(2)7-9-3/h4-7H,1-3H3/b5-4+,8-6-,9-7+
InChIKeyDKZLWTCYYRBHQW-XSFJMXLLSA-N
MW123.20 g/mol
LogP2.21
Rot. Bonds2

About (2Z,4E)-N,2-dimethylhexa-2,4-dien-1-imine

(2Z,4E)-N,2-dimethylhexa-2,4-dien-1-imine (PubChem CID 89207790) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (2Z,4E)-N,2-dimethylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-N,2-dimethylhexa-2,4-dien-1-imine
PubChem CID89207790
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(2Z,4E)-N,2-dimethylhexa-2,4-dien-1-imine
SMILESC/C=C/C=C(C)\C=N\C
InChIInChI=1S/C8H13N/c1-4-5-6-8(2)7-9-3/h4-7H,1-3H3/b5-4+,8-6-,9-7+
InChIKeyDKZLWTCYYRBHQW-XSFJMXLLSA-N
XLogP2.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.21
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'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N,2-dimethylhexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-N,2-dimethylhexa-2,4-dien-1-imine (CID 89207790) is (2Z,4E)-N,2-dimethylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-N,2-dimethylhexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-N,2-dimethylhexa-2,4-dien-1-imine is C/C=C/C=C(C)\C=N\C.
What is the InChIKey of (2Z,4E)-N,2-dimethylhexa-2,4-dien-1-imine?
The InChIKey is DKZLWTCYYRBHQW-XSFJMXLLSA-N. The full InChI is InChI=1S/C8H13N/c1-4-5-6-8(2)7-9-3/h4-7H,1-3H3/b5-4+,8-6-,9-7+.
What are the key properties of (2Z,4E)-N,2-dimethylhexa-2,4-dien-1-imine?
(2Z,4E)-N,2-dimethylhexa-2,4-dien-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N,2-dimethylhexa-2,4-dien-1-imine is sourced from PubChem (CID 89207790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).