(Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine

C9H19N3O — CID 166874136

IUPAC(Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine
SMILESC/C=N\N/C=C(/C)N(C)C(C)OC
InChIInChI=1S/C9H19N3O/c1-6-10-11-7-8(2)12(4)9(3)13-5/h6-7,9,11H,1-5H3/b8-7-,10-6-
InChIKeyLYXITWZFNNEJTK-OYIUBJQVSA-N
MW185.27 g/mol
LogP1.37
Rot. Bonds5

About (Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine

(Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine (PubChem CID 166874136) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine
PubChem CID166874136
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine
SMILESC/C=N\N/C=C(/C)N(C)C(C)OC
InChIInChI=1S/C9H19N3O/c1-6-10-11-7-8(2)12(4)9(3)13-5/h6-7,9,11H,1-5H3/b8-7-,10-6-
InChIKeyLYXITWZFNNEJTK-OYIUBJQVSA-N
XLogP1.37
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine (CID 166874136) is (Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine is C/C=N\N/C=C(/C)N(C)C(C)OC.
What is the InChIKey of (Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine?
The InChIKey is LYXITWZFNNEJTK-OYIUBJQVSA-N. The full InChI is InChI=1S/C9H19N3O/c1-6-10-11-7-8(2)12(4)9(3)13-5/h6-7,9,11H,1-5H3/b8-7-,10-6-.
What are the key properties of (Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine?
(Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine has a molecular weight of 185.27 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine is sourced from PubChem (CID 166874136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).