(E)-1-chloro-N-ethoxy-N'-[(Z)-ethylideneamino]-N-methylethene-1,2-diamine

C7H14ClN3O — CID 155456681

IUPAC(E)-1-chloro-N-ethoxy-N'-[(Z)-ethylideneamino]-N-methylethene-1,2-diamine
SMILESC/C=N\N/C=C(/Cl)N(C)OCC
InChIInChI=1S/C7H14ClN3O/c1-4-9-10-6-7(8)11(3)12-5-2/h4,6,10H,5H2,1-3H3/b7-6-,9-4-
InChIKeyLAIFLVBEHQXWFY-LDCOQZMTSA-N
MW191.66 g/mol
LogP1.50
Rot. Bonds5

About (E)-1-chloro-N-ethoxy-N'-[(Z)-ethylideneamino]-N-methylethene-1,2-diamine

(E)-1-chloro-N-ethoxy-N'-[(Z)-ethylideneamino]-N-methylethene-1,2-diamine (PubChem CID 155456681) has the molecular formula C7H14ClN3O and a molecular weight of 191.66 g/mol. Its IUPAC name is (E)-1-chloro-N-ethoxy-N'-[(Z)-ethylideneamino]-N-methylethene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-chloro-N-ethoxy-N'-[(Z)-ethylideneamino]-N-methylethene-1,2-diamine
PubChem CID155456681
Molecular FormulaC7H14ClN3O
Molecular Weight191.66 g/mol
Exact Mass191.08
IUPAC Name(E)-1-chloro-N-ethoxy-N'-[(Z)-ethylideneamino]-N-methylethene-1,2-diamine
SMILESC/C=N\N/C=C(/Cl)N(C)OCC
InChIInChI=1S/C7H14ClN3O/c1-4-9-10-6-7(8)11(3)12-5-2/h4,6,10H,5H2,1-3H3/b7-6-,9-4-
InChIKeyLAIFLVBEHQXWFY-LDCOQZMTSA-N
XLogP1.50
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', '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)-1-chloro-N-ethoxy-N'-[(Z)-ethylideneamino]-N-methylethene-1,2-diamine?
The IUPAC name of (E)-1-chloro-N-ethoxy-N'-[(Z)-ethylideneamino]-N-methylethene-1,2-diamine (CID 155456681) is (E)-1-chloro-N-ethoxy-N'-[(Z)-ethylideneamino]-N-methylethene-1,2-diamine.
What is the SMILES notation for (E)-1-chloro-N-ethoxy-N'-[(Z)-ethylideneamino]-N-methylethene-1,2-diamine?
The canonical SMILES for (E)-1-chloro-N-ethoxy-N'-[(Z)-ethylideneamino]-N-methylethene-1,2-diamine is C/C=N\N/C=C(/Cl)N(C)OCC.
What is the InChIKey of (E)-1-chloro-N-ethoxy-N'-[(Z)-ethylideneamino]-N-methylethene-1,2-diamine?
The InChIKey is LAIFLVBEHQXWFY-LDCOQZMTSA-N. The full InChI is InChI=1S/C7H14ClN3O/c1-4-9-10-6-7(8)11(3)12-5-2/h4,6,10H,5H2,1-3H3/b7-6-,9-4-.
What are the key properties of (E)-1-chloro-N-ethoxy-N'-[(Z)-ethylideneamino]-N-methylethene-1,2-diamine?
(E)-1-chloro-N-ethoxy-N'-[(Z)-ethylideneamino]-N-methylethene-1,2-diamine has a molecular weight of 191.66 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-N-ethoxy-N'-[(Z)-ethylideneamino]-N-methylethene-1,2-diamine is sourced from PubChem (CID 155456681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).