N-(aminomethyl)-N-(hydroxymethyl)acetamide

C4H10N2O2 — CID 59944687

IUPACN-(aminomethyl)-N-(hydroxymethyl)acetamide
SMILESCC(=O)N(CN)CO
InChIInChI=1S/C4H10N2O2/c1-4(8)6(2-5)3-7/h7H,2-3,5H2,1H3
InChIKeyWSDFOKRMVQYSPP-UHFFFAOYSA-N
MW118.14 g/mol
LogP-1.30
Rot. Bonds2

About N-(aminomethyl)-N-(hydroxymethyl)acetamide

N-(aminomethyl)-N-(hydroxymethyl)acetamide (PubChem CID 59944687) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is N-(aminomethyl)-N-(hydroxymethyl)acetamide.

Molecular Properties

Compound NameN-(aminomethyl)-N-(hydroxymethyl)acetamide
PubChem CID59944687
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC NameN-(aminomethyl)-N-(hydroxymethyl)acetamide
SMILESCC(=O)N(CN)CO
InChIInChI=1S/C4H10N2O2/c1-4(8)6(2-5)3-7/h7H,2-3,5H2,1H3
InChIKeyWSDFOKRMVQYSPP-UHFFFAOYSA-N
XLogP-1.30
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl-[(2R)-2-amino-3-hydroxypropyl]amino]acetic acid
CID 171442588
2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid
CID 118650049
N-(2-aminoethyl)-N-ethylacetamide
CID 23084474
2-[acetyl(propyl)amino]acetic acid
CID 23279438
acetic acid;N,N-diethylacetamide
CID 174447974
N-(2-oxopropyl)-N-propylacetamide
CID 88778030
1-ethyl-1,3,3-tris(hydroxymethyl)urea
CID 18402780
hydroxymethyl N,N-bis(hydroxymethyl)carbamate
CID 139920036
acetic acid;N,N-diacetylacetamide;ethane-1,2-diamine
CID 174436185
acetic acid;methanediamine
CID 162329452
N,N-dimethylacetamide;ethane-1,2-diol
CID 19046924
N-(2-aminoethyl)-N-hexylacetamide
CID 174728155

Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-N-(hydroxymethyl)acetamide?
The IUPAC name of N-(aminomethyl)-N-(hydroxymethyl)acetamide (CID 59944687) is N-(aminomethyl)-N-(hydroxymethyl)acetamide.
What is the SMILES notation for N-(aminomethyl)-N-(hydroxymethyl)acetamide?
The canonical SMILES for N-(aminomethyl)-N-(hydroxymethyl)acetamide is CC(=O)N(CN)CO.
What is the InChIKey of N-(aminomethyl)-N-(hydroxymethyl)acetamide?
The InChIKey is WSDFOKRMVQYSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-4(8)6(2-5)3-7/h7H,2-3,5H2,1H3.
What are the key properties of N-(aminomethyl)-N-(hydroxymethyl)acetamide?
N-(aminomethyl)-N-(hydroxymethyl)acetamide has a molecular weight of 118.14 g/mol, XLogP of -1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-N-(hydroxymethyl)acetamide is sourced from PubChem (CID 59944687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).