N-(2-aminoethyl)-N-methylcarbamoyl iodide

C4H9IN2O — CID 147395077

IUPACN-(2-aminoethyl)-N-methylcarbamoyl iodide
SMILESCN(CCN)C(=O)I
InChIInChI=1S/C4H9IN2O/c1-7(3-2-6)4(5)8/h2-3,6H2,1H3
InChIKeyDNQGVCTYCPKOHA-UHFFFAOYSA-N
MW228.03 g/mol
LogP0.43
Rot. Bonds2

About N-(2-aminoethyl)-N-methylcarbamoyl iodide

N-(2-aminoethyl)-N-methylcarbamoyl iodide (PubChem CID 147395077) has the molecular formula C4H9IN2O and a molecular weight of 228.03 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-methylcarbamoyl iodide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-methylcarbamoyl iodide
PubChem CID147395077
Molecular FormulaC4H9IN2O
Molecular Weight228.03 g/mol
Exact Mass227.98
IUPAC NameN-(2-aminoethyl)-N-methylcarbamoyl iodide
SMILESCN(CCN)C(=O)I
InChIInChI=1S/C4H9IN2O/c1-7(3-2-6)4(5)8/h2-3,6H2,1H3
InChIKeyDNQGVCTYCPKOHA-UHFFFAOYSA-N
XLogP0.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.03
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(2-aminoethyl)-N-methylcarbamate
CID 58684648
N-(2-aminoethyl)-N,3-dimethylbut-2-enamide
CID 62681125
N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide
CID 117126542
methyl 3-[2-aminoethyl(methyl)amino]-3-oxopropanoate
CID 117126525
N-(2-aminoethyl)-2-ethoxy-N-methylacetamide
CID 61350460
N'-methyl-N'-prop-1-en-2-ylethane-1,2-diamine
CID 130357566
N-(2-aminoethyl)-N-methylcyclooctanecarboxamide
CID 65019367
N-(2-aminoethyl)-N-methylbenzamide
CID 28707416
N-(2-aminoethyl)-N-methylhexa-2,4-dienamide
CID 76954139
N-(2-aminoethyl)-N,3-dimethyl-4-oxopentanamide
CID 170240905
N-(2-aminoethyl)-N,5-dimethylpyrazine-2-carboxamide
CID 62686428
1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
CID 82503265

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-methylcarbamoyl iodide?
The IUPAC name of N-(2-aminoethyl)-N-methylcarbamoyl iodide (CID 147395077) is N-(2-aminoethyl)-N-methylcarbamoyl iodide.
What is the SMILES notation for N-(2-aminoethyl)-N-methylcarbamoyl iodide?
The canonical SMILES for N-(2-aminoethyl)-N-methylcarbamoyl iodide is CN(CCN)C(=O)I.
What is the InChIKey of N-(2-aminoethyl)-N-methylcarbamoyl iodide?
The InChIKey is DNQGVCTYCPKOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9IN2O/c1-7(3-2-6)4(5)8/h2-3,6H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-methylcarbamoyl iodide?
N-(2-aminoethyl)-N-methylcarbamoyl iodide has a molecular weight of 228.03 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-methylcarbamoyl iodide is sourced from PubChem (CID 147395077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).