(E)-N-[(E)-ethylideneamino]-2,2-dimethylpentan-3-imine

C9H18N2 — CID 123789105

IUPAC(E)-N-[(E)-ethylideneamino]-2,2-dimethylpentan-3-imine
SMILESC/C=N/N=C(/CC)C(C)(C)C
InChIInChI=1S/C9H18N2/c1-6-8(9(3,4)5)11-10-7-2/h7H,6H2,1-5H3/b10-7+,11-8-
InChIKeyGIRQESCQLSOYRA-WAKDDQPJSA-N
MW154.26 g/mol
LogP2.89
Rot. Bonds2

About (E)-N-[(E)-ethylideneamino]-2,2-dimethylpentan-3-imine

(E)-N-[(E)-ethylideneamino]-2,2-dimethylpentan-3-imine (PubChem CID 123789105) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (E)-N-[(E)-ethylideneamino]-2,2-dimethylpentan-3-imine.

Molecular Properties

Compound Name(E)-N-[(E)-ethylideneamino]-2,2-dimethylpentan-3-imine
PubChem CID123789105
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(E)-N-[(E)-ethylideneamino]-2,2-dimethylpentan-3-imine
SMILESC/C=N/N=C(/CC)C(C)(C)C
InChIInChI=1S/C9H18N2/c1-6-8(9(3,4)5)11-10-7-2/h7H,6H2,1-5H3/b10-7+,11-8-
InChIKeyGIRQESCQLSOYRA-WAKDDQPJSA-N
XLogP2.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.89
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'}

Analyze (E)-N-[(E)-ethylideneamino]-2,2-dimethylpentan-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-ethylideneamino]-2,2-dimethylpentan-3-imine?
The IUPAC name of (E)-N-[(E)-ethylideneamino]-2,2-dimethylpentan-3-imine (CID 123789105) is (E)-N-[(E)-ethylideneamino]-2,2-dimethylpentan-3-imine.
What is the SMILES notation for (E)-N-[(E)-ethylideneamino]-2,2-dimethylpentan-3-imine?
The canonical SMILES for (E)-N-[(E)-ethylideneamino]-2,2-dimethylpentan-3-imine is C/C=N/N=C(/CC)C(C)(C)C.
What is the InChIKey of (E)-N-[(E)-ethylideneamino]-2,2-dimethylpentan-3-imine?
The InChIKey is GIRQESCQLSOYRA-WAKDDQPJSA-N. The full InChI is InChI=1S/C9H18N2/c1-6-8(9(3,4)5)11-10-7-2/h7H,6H2,1-5H3/b10-7+,11-8-.
What are the key properties of (E)-N-[(E)-ethylideneamino]-2,2-dimethylpentan-3-imine?
(E)-N-[(E)-ethylideneamino]-2,2-dimethylpentan-3-imine has a molecular weight of 154.26 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-ethylideneamino]-2,2-dimethylpentan-3-imine is sourced from PubChem (CID 123789105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).