(E)-N-[(E)-ethylideneamino]-2-methylpent-1-en-3-imine

C8H14N2 — CID 123831587

IUPAC(E)-N-[(E)-ethylideneamino]-2-methylpent-1-en-3-imine
SMILESC=C(C)/C(CC)=N/N=C/C
InChIInChI=1S/C8H14N2/c1-5-8(7(3)4)10-9-6-2/h6H,3,5H2,1-2,4H3/b9-6+,10-8+
InChIKeyUYZZUUFOXHWDAW-OAMUUVBCSA-N
MW138.21 g/mol
LogP2.42
Rot. Bonds3

About (E)-N-[(E)-ethylideneamino]-2-methylpent-1-en-3-imine

(E)-N-[(E)-ethylideneamino]-2-methylpent-1-en-3-imine (PubChem CID 123831587) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (E)-N-[(E)-ethylideneamino]-2-methylpent-1-en-3-imine.

Molecular Properties

Compound Name(E)-N-[(E)-ethylideneamino]-2-methylpent-1-en-3-imine
PubChem CID123831587
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(E)-N-[(E)-ethylideneamino]-2-methylpent-1-en-3-imine
SMILESC=C(C)/C(CC)=N/N=C/C
InChIInChI=1S/C8H14N2/c1-5-8(7(3)4)10-9-6-2/h6H,3,5H2,1-2,4H3/b9-6+,10-8+
InChIKeyUYZZUUFOXHWDAW-OAMUUVBCSA-N
XLogP2.42
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.42
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]-2-methylpent-1-en-3-imine?
The IUPAC name of (E)-N-[(E)-ethylideneamino]-2-methylpent-1-en-3-imine (CID 123831587) is (E)-N-[(E)-ethylideneamino]-2-methylpent-1-en-3-imine.
What is the SMILES notation for (E)-N-[(E)-ethylideneamino]-2-methylpent-1-en-3-imine?
The canonical SMILES for (E)-N-[(E)-ethylideneamino]-2-methylpent-1-en-3-imine is C=C(C)/C(CC)=N/N=C/C.
What is the InChIKey of (E)-N-[(E)-ethylideneamino]-2-methylpent-1-en-3-imine?
The InChIKey is UYZZUUFOXHWDAW-OAMUUVBCSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-8(7(3)4)10-9-6-2/h6H,3,5H2,1-2,4H3/b9-6+,10-8+.
What are the key properties of (E)-N-[(E)-ethylideneamino]-2-methylpent-1-en-3-imine?
(E)-N-[(E)-ethylideneamino]-2-methylpent-1-en-3-imine has a molecular weight of 138.21 g/mol, XLogP of 2.42, 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]-2-methylpent-1-en-3-imine is sourced from PubChem (CID 123831587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).