N-[2-(methylamino)ethyl]carbamoyl iodide

C4H9IN2O — CID 153221935

IUPACN-[2-(methylamino)ethyl]carbamoyl iodide
SMILESCNCCNC(=O)I
InChIInChI=1S/C4H9IN2O/c1-6-2-3-7-4(5)8/h6H,2-3H2,1H3,(H,7,8)
InChIKeyWNVMLDFUCKXHER-UHFFFAOYSA-N
MW228.03 g/mol
LogP0.35
Rot. Bonds3

About N-[2-(methylamino)ethyl]carbamoyl iodide

N-[2-(methylamino)ethyl]carbamoyl iodide (PubChem CID 153221935) has the molecular formula C4H9IN2O and a molecular weight of 228.03 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]carbamoyl iodide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]carbamoyl iodide
PubChem CID153221935
Molecular FormulaC4H9IN2O
Molecular Weight228.03 g/mol
Exact Mass227.98
IUPAC NameN-[2-(methylamino)ethyl]carbamoyl iodide
SMILESCNCCNC(=O)I
InChIInChI=1S/C4H9IN2O/c1-6-2-3-7-4(5)8/h6H,2-3H2,1H3,(H,7,8)
InChIKeyWNVMLDFUCKXHER-UHFFFAOYSA-N
XLogP0.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.03
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]carbamoyl iodide?
The IUPAC name of N-[2-(methylamino)ethyl]carbamoyl iodide (CID 153221935) is N-[2-(methylamino)ethyl]carbamoyl iodide.
What is the SMILES notation for N-[2-(methylamino)ethyl]carbamoyl iodide?
The canonical SMILES for N-[2-(methylamino)ethyl]carbamoyl iodide is CNCCNC(=O)I.
What is the InChIKey of N-[2-(methylamino)ethyl]carbamoyl iodide?
The InChIKey is WNVMLDFUCKXHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9IN2O/c1-6-2-3-7-4(5)8/h6H,2-3H2,1H3,(H,7,8).
What are the key properties of N-[2-(methylamino)ethyl]carbamoyl iodide?
N-[2-(methylamino)ethyl]carbamoyl iodide has a molecular weight of 228.03 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]carbamoyl iodide is sourced from PubChem (CID 153221935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).