N'-[(Z)-2-amino-1,2-dichloroethenyl]ethanimidamide

C4H7Cl2N3 — CID 176924842

IUPACN'-[(Z)-2-amino-1,2-dichloroethenyl]ethanimidamide
SMILESC/C(N)=N/C(Cl)=C(\N)Cl
InChIInChI=1S/C4H7Cl2N3/c1-2(7)9-4(6)3(5)8/h8H2,1H3,(H2,7,9)/b4-3-
InChIKeyYTSSNEGLDQTZLM-ARJAWSKDSA-N
MW168.03 g/mol
LogP0.93
Rot. Bonds1

About N'-[(Z)-2-amino-1,2-dichloroethenyl]ethanimidamide

N'-[(Z)-2-amino-1,2-dichloroethenyl]ethanimidamide (PubChem CID 176924842) has the molecular formula C4H7Cl2N3 and a molecular weight of 168.03 g/mol. Its IUPAC name is N'-[(Z)-2-amino-1,2-dichloroethenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-amino-1,2-dichloroethenyl]ethanimidamide
PubChem CID176924842
Molecular FormulaC4H7Cl2N3
Molecular Weight168.03 g/mol
Exact Mass167.00
IUPAC NameN'-[(Z)-2-amino-1,2-dichloroethenyl]ethanimidamide
SMILESC/C(N)=N/C(Cl)=C(\N)Cl
InChIInChI=1S/C4H7Cl2N3/c1-2(7)9-4(6)3(5)8/h8H2,1H3,(H2,7,9)/b4-3-
InChIKeyYTSSNEGLDQTZLM-ARJAWSKDSA-N
XLogP0.93
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.03
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,2-dichloroprop-1-en-1-amine
CID 140981161
1-(1-aminoethylideneamino)ethylideneazanium;nickel(2+)
CID 175858505
N'-(1-sulfanylethenyl)ethanimidamide
CID 154550789
N'-[(E)-1-amino-2-methoxyprop-1-enyl]carbamimidoyl chloride
CID 174159458
N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide
CID 91589459
N'-carbamimidoylethanimidamide
CID 20603119
(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride
CID 168898427
N'-[N'-(dimethylamino)carbamimidoyl]ethanimidamide
CID 154046173
N'-[(Z)-1-aminoethylideneamino]ethanimidamide;ethane
CID 143420874
N'-methylethanimidamide;vanadium
CID 161014708
N,N'-bis(1-aminoethylidene)hexanediamide
CID 87475863
N'-[(E)-pent-2-en-2-yl]ethanimidamide
CID 123500479

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-amino-1,2-dichloroethenyl]ethanimidamide?
The IUPAC name of N'-[(Z)-2-amino-1,2-dichloroethenyl]ethanimidamide (CID 176924842) is N'-[(Z)-2-amino-1,2-dichloroethenyl]ethanimidamide.
What is the SMILES notation for N'-[(Z)-2-amino-1,2-dichloroethenyl]ethanimidamide?
The canonical SMILES for N'-[(Z)-2-amino-1,2-dichloroethenyl]ethanimidamide is C/C(N)=N/C(Cl)=C(\N)Cl.
What is the InChIKey of N'-[(Z)-2-amino-1,2-dichloroethenyl]ethanimidamide?
The InChIKey is YTSSNEGLDQTZLM-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H7Cl2N3/c1-2(7)9-4(6)3(5)8/h8H2,1H3,(H2,7,9)/b4-3-.
What are the key properties of N'-[(Z)-2-amino-1,2-dichloroethenyl]ethanimidamide?
N'-[(Z)-2-amino-1,2-dichloroethenyl]ethanimidamide has a molecular weight of 168.03 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-amino-1,2-dichloroethenyl]ethanimidamide is sourced from PubChem (CID 176924842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).