1-dichloroindiganyl-N-ethyl-N,N'-dimethylmethanimidamide

C5H11Cl2InN2 — CID 169094165

IUPAC1-dichloroindiganyl-N-ethyl-N,N'-dimethylmethanimidamide
SMILESCCN(C)/C(=N/C)[In](Cl)Cl
InChIInChI=1S/C5H11N2.2ClH.In/c1-4-7(3)5-6-2;;;/h4H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeySNOJSWOXDNCQJB-UHFFFAOYSA-L
MW284.88 g/mol
LogP1.47
Rot. Bonds2

About 1-dichloroindiganyl-N-ethyl-N,N'-dimethylmethanimidamide

1-dichloroindiganyl-N-ethyl-N,N'-dimethylmethanimidamide (PubChem CID 169094165) has the molecular formula C5H11Cl2InN2 and a molecular weight of 284.88 g/mol. Its IUPAC name is 1-dichloroindiganyl-N-ethyl-N,N'-dimethylmethanimidamide.

Molecular Properties

Compound Name1-dichloroindiganyl-N-ethyl-N,N'-dimethylmethanimidamide
PubChem CID169094165
Molecular FormulaC5H11Cl2InN2
Molecular Weight284.88 g/mol
Exact Mass283.93
IUPAC Name1-dichloroindiganyl-N-ethyl-N,N'-dimethylmethanimidamide
SMILESCCN(C)/C(=N/C)[In](Cl)Cl
InChIInChI=1S/C5H11N2.2ClH.In/c1-4-7(3)5-6-2;;;/h4H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeySNOJSWOXDNCQJB-UHFFFAOYSA-L
XLogP1.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.88
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dichloroindiganyl-N-ethyl-N,N'-dimethylmethanimidamide?
The IUPAC name of 1-dichloroindiganyl-N-ethyl-N,N'-dimethylmethanimidamide (CID 169094165) is 1-dichloroindiganyl-N-ethyl-N,N'-dimethylmethanimidamide.
What is the SMILES notation for 1-dichloroindiganyl-N-ethyl-N,N'-dimethylmethanimidamide?
The canonical SMILES for 1-dichloroindiganyl-N-ethyl-N,N'-dimethylmethanimidamide is CCN(C)/C(=N/C)[In](Cl)Cl.
What is the InChIKey of 1-dichloroindiganyl-N-ethyl-N,N'-dimethylmethanimidamide?
The InChIKey is SNOJSWOXDNCQJB-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H11N2.2ClH.In/c1-4-7(3)5-6-2;;;/h4H2,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of 1-dichloroindiganyl-N-ethyl-N,N'-dimethylmethanimidamide?
1-dichloroindiganyl-N-ethyl-N,N'-dimethylmethanimidamide has a molecular weight of 284.88 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dichloroindiganyl-N-ethyl-N,N'-dimethylmethanimidamide is sourced from PubChem (CID 169094165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).