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

C10H17N — CID 126544961

IUPAC(2E,4Z)-N,2-diethylhexa-2,4-dien-1-imine
SMILESC/C=C\C=C(\C=N\CC)CC
InChIInChI=1S/C10H17N/c1-4-7-8-10(5-2)9-11-6-3/h4,7-9H,5-6H2,1-3H3/b7-4-,10-8+,11-9+
InChIKeyGFCAMCVTOXVLCO-KVNUYZLESA-N
MW151.25 g/mol
LogP2.99
Rot. Bonds4

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

(2E,4Z)-N,2-diethylhexa-2,4-dien-1-imine (PubChem CID 126544961) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (2E,4Z)-N,2-diethylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4Z)-N,2-diethylhexa-2,4-dien-1-imine
PubChem CID126544961
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(2E,4Z)-N,2-diethylhexa-2,4-dien-1-imine
SMILESC/C=C\C=C(\C=N\CC)CC
InChIInChI=1S/C10H17N/c1-4-7-8-10(5-2)9-11-6-3/h4,7-9H,5-6H2,1-3H3/b7-4-,10-8+,11-9+
InChIKeyGFCAMCVTOXVLCO-KVNUYZLESA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.99
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 (2E,4Z)-N,2-diethylhexa-2,4-dien-1-imine?
The IUPAC name of (2E,4Z)-N,2-diethylhexa-2,4-dien-1-imine (CID 126544961) is (2E,4Z)-N,2-diethylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2E,4Z)-N,2-diethylhexa-2,4-dien-1-imine?
The canonical SMILES for (2E,4Z)-N,2-diethylhexa-2,4-dien-1-imine is C/C=C\C=C(\C=N\CC)CC.
What is the InChIKey of (2E,4Z)-N,2-diethylhexa-2,4-dien-1-imine?
The InChIKey is GFCAMCVTOXVLCO-KVNUYZLESA-N. The full InChI is InChI=1S/C10H17N/c1-4-7-8-10(5-2)9-11-6-3/h4,7-9H,5-6H2,1-3H3/b7-4-,10-8+,11-9+.
What are the key properties of (2E,4Z)-N,2-diethylhexa-2,4-dien-1-imine?
(2E,4Z)-N,2-diethylhexa-2,4-dien-1-imine has a molecular weight of 151.25 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,2-diethylhexa-2,4-dien-1-imine is sourced from PubChem (CID 126544961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).