(Z)-N-[(Z)-ethylideneamino]oct-1-en-3-imine

C10H18N2 — CID 166992119

IUPAC(Z)-N-[(Z)-ethylideneamino]oct-1-en-3-imine
SMILESC=C/C(CCCCC)=N\N=C/C
InChIInChI=1S/C10H18N2/c1-4-7-8-9-10(5-2)12-11-6-3/h5-6H,2,4,7-9H2,1,3H3/b11-6-,12-10+
InChIKeyZRLDGJVJWKETSQ-QVIJUPDLSA-N
MW166.27 g/mol
LogP3.20
Rot. Bonds6

About (Z)-N-[(Z)-ethylideneamino]oct-1-en-3-imine

(Z)-N-[(Z)-ethylideneamino]oct-1-en-3-imine (PubChem CID 166992119) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (Z)-N-[(Z)-ethylideneamino]oct-1-en-3-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-ethylideneamino]oct-1-en-3-imine
PubChem CID166992119
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(Z)-N-[(Z)-ethylideneamino]oct-1-en-3-imine
SMILESC=C/C(CCCCC)=N\N=C/C
InChIInChI=1S/C10H18N2/c1-4-7-8-9-10(5-2)12-11-6-3/h5-6H,2,4,7-9H2,1,3H3/b11-6-,12-10+
InChIKeyZRLDGJVJWKETSQ-QVIJUPDLSA-N
XLogP3.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (Z)-N-[(Z)-ethylideneamino]oct-1-en-3-imine?
The IUPAC name of (Z)-N-[(Z)-ethylideneamino]oct-1-en-3-imine (CID 166992119) is (Z)-N-[(Z)-ethylideneamino]oct-1-en-3-imine.
What is the SMILES notation for (Z)-N-[(Z)-ethylideneamino]oct-1-en-3-imine?
The canonical SMILES for (Z)-N-[(Z)-ethylideneamino]oct-1-en-3-imine is C=C/C(CCCCC)=N\N=C/C.
What is the InChIKey of (Z)-N-[(Z)-ethylideneamino]oct-1-en-3-imine?
The InChIKey is ZRLDGJVJWKETSQ-QVIJUPDLSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-7-8-9-10(5-2)12-11-6-3/h5-6H,2,4,7-9H2,1,3H3/b11-6-,12-10+.
What are the key properties of (Z)-N-[(Z)-ethylideneamino]oct-1-en-3-imine?
(Z)-N-[(Z)-ethylideneamino]oct-1-en-3-imine has a molecular weight of 166.27 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-ethylideneamino]oct-1-en-3-imine is sourced from PubChem (CID 166992119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).