(E,2E)-2,4-dimethyl-N-[(E)-propylideneamino]penta-2,4-dien-1-imine

C10H16N2 — CID 123766491

IUPAC(E,2E)-2,4-dimethyl-N-[(E)-propylideneamino]penta-2,4-dien-1-imine
SMILESC=C(C)/C=C(C)/C=N\N=C\CC
InChIInChI=1S/C10H16N2/c1-5-6-11-12-8-10(4)7-9(2)3/h6-8H,2,5H2,1,3-4H3/b10-7+,11-6+,12-8-
InChIKeyLJMRDDLTKVMNSN-GBUANDGLSA-N
MW164.25 g/mol
LogP2.98
Rot. Bonds4

About (E,2E)-2,4-dimethyl-N-[(E)-propylideneamino]penta-2,4-dien-1-imine

(E,2E)-2,4-dimethyl-N-[(E)-propylideneamino]penta-2,4-dien-1-imine (PubChem CID 123766491) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (E,2E)-2,4-dimethyl-N-[(E)-propylideneamino]penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(E,2E)-2,4-dimethyl-N-[(E)-propylideneamino]penta-2,4-dien-1-imine
PubChem CID123766491
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(E,2E)-2,4-dimethyl-N-[(E)-propylideneamino]penta-2,4-dien-1-imine
SMILESC=C(C)/C=C(C)/C=N\N=C\CC
InChIInChI=1S/C10H16N2/c1-5-6-11-12-8-10(4)7-9(2)3/h6-8H,2,5H2,1,3-4H3/b10-7+,11-6+,12-8-
InChIKeyLJMRDDLTKVMNSN-GBUANDGLSA-N
XLogP2.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,2E)-2,4-dimethyl-N-[(E)-propylideneamino]penta-2,4-dien-1-imine?
The IUPAC name of (E,2E)-2,4-dimethyl-N-[(E)-propylideneamino]penta-2,4-dien-1-imine (CID 123766491) is (E,2E)-2,4-dimethyl-N-[(E)-propylideneamino]penta-2,4-dien-1-imine.
What is the SMILES notation for (E,2E)-2,4-dimethyl-N-[(E)-propylideneamino]penta-2,4-dien-1-imine?
The canonical SMILES for (E,2E)-2,4-dimethyl-N-[(E)-propylideneamino]penta-2,4-dien-1-imine is C=C(C)/C=C(C)/C=N\N=C\CC.
What is the InChIKey of (E,2E)-2,4-dimethyl-N-[(E)-propylideneamino]penta-2,4-dien-1-imine?
The InChIKey is LJMRDDLTKVMNSN-GBUANDGLSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-6-11-12-8-10(4)7-9(2)3/h6-8H,2,5H2,1,3-4H3/b10-7+,11-6+,12-8-.
What are the key properties of (E,2E)-2,4-dimethyl-N-[(E)-propylideneamino]penta-2,4-dien-1-imine?
(E,2E)-2,4-dimethyl-N-[(E)-propylideneamino]penta-2,4-dien-1-imine has a molecular weight of 164.25 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-2,4-dimethyl-N-[(E)-propylideneamino]penta-2,4-dien-1-imine is sourced from PubChem (CID 123766491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).