(E)-N-[(E)-ethylideneamino]-2-methylpropan-1-imine

C6H12N2 — CID 123853430

IUPAC(E)-N-[(E)-ethylideneamino]-2-methylpropan-1-imine
SMILESC/C=N/N=C/C(C)C
InChIInChI=1S/C6H12N2/c1-4-7-8-5-6(2)3/h4-6H,1-3H3/b7-4+,8-5+
InChIKeyZLTJAQPAYXTXTG-NSLJXJERSA-N
MW112.18 g/mol
LogP1.72
Rot. Bonds2

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

(E)-N-[(E)-ethylideneamino]-2-methylpropan-1-imine (PubChem CID 123853430) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (E)-N-[(E)-ethylideneamino]-2-methylpropan-1-imine.

Molecular Properties

Compound Name(E)-N-[(E)-ethylideneamino]-2-methylpropan-1-imine
PubChem CID123853430
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(E)-N-[(E)-ethylideneamino]-2-methylpropan-1-imine
SMILESC/C=N/N=C/C(C)C
InChIInChI=1S/C6H12N2/c1-4-7-8-5-6(2)3/h4-6H,1-3H3/b7-4+,8-5+
InChIKeyZLTJAQPAYXTXTG-NSLJXJERSA-N
XLogP1.72
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.72
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-methylpropan-1-imine?
The IUPAC name of (E)-N-[(E)-ethylideneamino]-2-methylpropan-1-imine (CID 123853430) is (E)-N-[(E)-ethylideneamino]-2-methylpropan-1-imine.
What is the SMILES notation for (E)-N-[(E)-ethylideneamino]-2-methylpropan-1-imine?
The canonical SMILES for (E)-N-[(E)-ethylideneamino]-2-methylpropan-1-imine is C/C=N/N=C/C(C)C.
What is the InChIKey of (E)-N-[(E)-ethylideneamino]-2-methylpropan-1-imine?
The InChIKey is ZLTJAQPAYXTXTG-NSLJXJERSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-7-8-5-6(2)3/h4-6H,1-3H3/b7-4+,8-5+.
What are the key properties of (E)-N-[(E)-ethylideneamino]-2-methylpropan-1-imine?
(E)-N-[(E)-ethylideneamino]-2-methylpropan-1-imine has a molecular weight of 112.18 g/mol, XLogP of 1.72, 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-methylpropan-1-imine is sourced from PubChem (CID 123853430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).