(Z)-1-(3,5-dichlorophenyl)-1-N-[(Z)-ethylideneamino]-2-N-methoxy-2-N-methylprop-1-ene-1,2-diamine

C13H17Cl2N3O — CID 166874134

IUPAC(Z)-1-(3,5-dichlorophenyl)-1-N-[(Z)-ethylideneamino]-2-N-methoxy-2-N-methylprop-1-ene-1,2-diamine
SMILESC/C=N\N/C(=C(/C)N(C)OC)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2N3O/c1-5-16-17-13(9(2)18(3)19-4)10-6-11(14)8-12(15)7-10/h5-8,17H,1-4H3/b13-9-,16-5-
InChIKeyYZKHBCYRGBIOGI-DGTNPLQHSA-N
MW302.21 g/mol
LogP3.77
Rot. Bonds5

About (Z)-1-(3,5-dichlorophenyl)-1-N-[(Z)-ethylideneamino]-2-N-methoxy-2-N-methylprop-1-ene-1,2-diamine

(Z)-1-(3,5-dichlorophenyl)-1-N-[(Z)-ethylideneamino]-2-N-methoxy-2-N-methylprop-1-ene-1,2-diamine (PubChem CID 166874134) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.21 g/mol. Its IUPAC name is (Z)-1-(3,5-dichlorophenyl)-1-N-[(Z)-ethylideneamino]-2-N-methoxy-2-N-methylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-(3,5-dichlorophenyl)-1-N-[(Z)-ethylideneamino]-2-N-methoxy-2-N-methylprop-1-ene-1,2-diamine
PubChem CID166874134
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name(Z)-1-(3,5-dichlorophenyl)-1-N-[(Z)-ethylideneamino]-2-N-methoxy-2-N-methylprop-1-ene-1,2-diamine
SMILESC/C=N\N/C(=C(/C)N(C)OC)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2N3O/c1-5-16-17-13(9(2)18(3)19-4)10-6-11(14)8-12(15)7-10/h5-8,17H,1-4H3/b13-9-,16-5-
InChIKeyYZKHBCYRGBIOGI-DGTNPLQHSA-N
XLogP3.77
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (Z)-1-(3,5-dichlorophenyl)-1-N-[(Z)-ethylideneamino]-2-N-methoxy-2-N-methylprop-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-(3,5-dichlorophenyl)-1-N-[(Z)-ethylideneamino]-2-N-methoxy-2-N-methylprop-1-ene-1,2-diamine (CID 166874134) is (Z)-1-(3,5-dichlorophenyl)-1-N-[(Z)-ethylideneamino]-2-N-methoxy-2-N-methylprop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-(3,5-dichlorophenyl)-1-N-[(Z)-ethylideneamino]-2-N-methoxy-2-N-methylprop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-(3,5-dichlorophenyl)-1-N-[(Z)-ethylideneamino]-2-N-methoxy-2-N-methylprop-1-ene-1,2-diamine is C/C=N\N/C(=C(/C)N(C)OC)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (Z)-1-(3,5-dichlorophenyl)-1-N-[(Z)-ethylideneamino]-2-N-methoxy-2-N-methylprop-1-ene-1,2-diamine?
The InChIKey is YZKHBCYRGBIOGI-DGTNPLQHSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-5-16-17-13(9(2)18(3)19-4)10-6-11(14)8-12(15)7-10/h5-8,17H,1-4H3/b13-9-,16-5-.
What are the key properties of (Z)-1-(3,5-dichlorophenyl)-1-N-[(Z)-ethylideneamino]-2-N-methoxy-2-N-methylprop-1-ene-1,2-diamine?
(Z)-1-(3,5-dichlorophenyl)-1-N-[(Z)-ethylideneamino]-2-N-methoxy-2-N-methylprop-1-ene-1,2-diamine has a molecular weight of 302.21 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3,5-dichlorophenyl)-1-N-[(Z)-ethylideneamino]-2-N-methoxy-2-N-methylprop-1-ene-1,2-diamine is sourced from PubChem (CID 166874134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).