(2Z,4Z)-4-bromo-N-ethyl-2-methylhexa-2,4-dien-1-imine

C9H14BrN — CID 166661835

IUPAC(2Z,4Z)-4-bromo-N-ethyl-2-methylhexa-2,4-dien-1-imine
SMILESC/C=C(Br)/C=C(C)\C=N\CC
InChIInChI=1S/C9H14BrN/c1-4-9(10)6-8(3)7-11-5-2/h4,6-7H,5H2,1-3H3/b8-6-,9-4-,11-7+
InChIKeyAQNZBFQJCMVAMA-SVRIIAJOSA-N
MW216.12 g/mol
LogP3.32
Rot. Bonds3

About (2Z,4Z)-4-bromo-N-ethyl-2-methylhexa-2,4-dien-1-imine

(2Z,4Z)-4-bromo-N-ethyl-2-methylhexa-2,4-dien-1-imine (PubChem CID 166661835) has the molecular formula C9H14BrN and a molecular weight of 216.12 g/mol. Its IUPAC name is (2Z,4Z)-4-bromo-N-ethyl-2-methylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-4-bromo-N-ethyl-2-methylhexa-2,4-dien-1-imine
PubChem CID166661835
Molecular FormulaC9H14BrN
Molecular Weight216.12 g/mol
Exact Mass215.03
IUPAC Name(2Z,4Z)-4-bromo-N-ethyl-2-methylhexa-2,4-dien-1-imine
SMILESC/C=C(Br)/C=C(C)\C=N\CC
InChIInChI=1S/C9H14BrN/c1-4-9(10)6-8(3)7-11-5-2/h4,6-7H,5H2,1-3H3/b8-6-,9-4-,11-7+
InChIKeyAQNZBFQJCMVAMA-SVRIIAJOSA-N
XLogP3.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 53.32
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,4Z)-4-bromo-N-ethyl-2-methylhexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-4-bromo-N-ethyl-2-methylhexa-2,4-dien-1-imine (CID 166661835) is (2Z,4Z)-4-bromo-N-ethyl-2-methylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-4-bromo-N-ethyl-2-methylhexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-4-bromo-N-ethyl-2-methylhexa-2,4-dien-1-imine is C/C=C(Br)/C=C(C)\C=N\CC.
What is the InChIKey of (2Z,4Z)-4-bromo-N-ethyl-2-methylhexa-2,4-dien-1-imine?
The InChIKey is AQNZBFQJCMVAMA-SVRIIAJOSA-N. The full InChI is InChI=1S/C9H14BrN/c1-4-9(10)6-8(3)7-11-5-2/h4,6-7H,5H2,1-3H3/b8-6-,9-4-,11-7+.
What are the key properties of (2Z,4Z)-4-bromo-N-ethyl-2-methylhexa-2,4-dien-1-imine?
(2Z,4Z)-4-bromo-N-ethyl-2-methylhexa-2,4-dien-1-imine has a molecular weight of 216.12 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4-bromo-N-ethyl-2-methylhexa-2,4-dien-1-imine is sourced from PubChem (CID 166661835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).