N-chloro-N,N'-dimethylethanimidamide

C4H9ClN2 — CID 54519652

IUPACN-chloro-N,N'-dimethylethanimidamide
SMILESC/N=C(\C)N(C)Cl
InChIInChI=1S/C4H9ClN2/c1-4(6-2)7(3)5/h1-3H3/b6-4+
InChIKeyYOWKFOWDALBNCM-GQCTYLIASA-N
MW120.58 g/mol
LogP1.12
Rot. Bonds

About N-chloro-N,N'-dimethylethanimidamide

N-chloro-N,N'-dimethylethanimidamide (PubChem CID 54519652) has the molecular formula C4H9ClN2 and a molecular weight of 120.58 g/mol. Its IUPAC name is N-chloro-N,N'-dimethylethanimidamide.

Molecular Properties

Compound NameN-chloro-N,N'-dimethylethanimidamide
PubChem CID54519652
Molecular FormulaC4H9ClN2
Molecular Weight120.58 g/mol
Exact Mass120.05
IUPAC NameN-chloro-N,N'-dimethylethanimidamide
SMILESC/N=C(\C)N(C)Cl
InChIInChI=1S/C4H9ClN2/c1-4(6-2)7(3)5/h1-3H3/b6-4+
InChIKeyYOWKFOWDALBNCM-GQCTYLIASA-N
XLogP1.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.58
LogP ≤ 51.12
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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-chloro-N,N'-dimethylethanimidamide?
The IUPAC name of N-chloro-N,N'-dimethylethanimidamide (CID 54519652) is N-chloro-N,N'-dimethylethanimidamide.
What is the SMILES notation for N-chloro-N,N'-dimethylethanimidamide?
The canonical SMILES for N-chloro-N,N'-dimethylethanimidamide is C/N=C(\C)N(C)Cl.
What is the InChIKey of N-chloro-N,N'-dimethylethanimidamide?
The InChIKey is YOWKFOWDALBNCM-GQCTYLIASA-N. The full InChI is InChI=1S/C4H9ClN2/c1-4(6-2)7(3)5/h1-3H3/b6-4+.
What are the key properties of N-chloro-N,N'-dimethylethanimidamide?
N-chloro-N,N'-dimethylethanimidamide has a molecular weight of 120.58 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N,N'-dimethylethanimidamide is sourced from PubChem (CID 54519652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).