(E)-N-[(E)-ethylideneamino]pent-2-en-1-imine

C7H12N2 — CID 123479486

IUPAC(E)-N-[(E)-ethylideneamino]pent-2-en-1-imine
SMILESC/C=N/N=C/C=CCC
InChIInChI=1S/C7H12N2/c1-3-5-6-7-9-8-4-2/h4-7H,3H2,1-2H3/b6-5?,8-4+,9-7+
InChIKeyATIMQUUYYMQUDA-JQAQSMCWSA-N
MW124.19 g/mol
LogP2.03
Rot. Bonds3

About (E)-N-[(E)-ethylideneamino]pent-2-en-1-imine

(E)-N-[(E)-ethylideneamino]pent-2-en-1-imine (PubChem CID 123479486) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (E)-N-[(E)-ethylideneamino]pent-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-[(E)-ethylideneamino]pent-2-en-1-imine
PubChem CID123479486
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(E)-N-[(E)-ethylideneamino]pent-2-en-1-imine
SMILESC/C=N/N=C/C=CCC
InChIInChI=1S/C7H12N2/c1-3-5-6-7-9-8-4-2/h4-7H,3H2,1-2H3/b6-5?,8-4+,9-7+
InChIKeyATIMQUUYYMQUDA-JQAQSMCWSA-N
XLogP2.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.03
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-ethylideneamino]pent-2-en-1-imine?
The IUPAC name of (E)-N-[(E)-ethylideneamino]pent-2-en-1-imine (CID 123479486) is (E)-N-[(E)-ethylideneamino]pent-2-en-1-imine.
What is the SMILES notation for (E)-N-[(E)-ethylideneamino]pent-2-en-1-imine?
The canonical SMILES for (E)-N-[(E)-ethylideneamino]pent-2-en-1-imine is C/C=N/N=C/C=CCC.
What is the InChIKey of (E)-N-[(E)-ethylideneamino]pent-2-en-1-imine?
The InChIKey is ATIMQUUYYMQUDA-JQAQSMCWSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-5-6-7-9-8-4-2/h4-7H,3H2,1-2H3/b6-5?,8-4+,9-7+.
What are the key properties of (E)-N-[(E)-ethylideneamino]pent-2-en-1-imine?
(E)-N-[(E)-ethylideneamino]pent-2-en-1-imine has a molecular weight of 124.19 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-ethylideneamino]pent-2-en-1-imine is sourced from PubChem (CID 123479486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).