N-(diaminomethyl)acetamide

C3H9N3O — CID 55283943

IUPACN-(diaminomethyl)acetamide
SMILESCC(=O)NC(N)N
InChIInChI=1S/C3H9N3O/c1-2(7)6-3(4)5/h3H,4-5H2,1H3,(H,6,7)
InChIKeyGXGGFHUXEFWHGU-UHFFFAOYSA-N
MW103.12 g/mol
LogP-1.68
Rot. Bonds1

About N-(diaminomethyl)acetamide

N-(diaminomethyl)acetamide (PubChem CID 55283943) has the molecular formula C3H9N3O and a molecular weight of 103.12 g/mol. Its IUPAC name is N-(diaminomethyl)acetamide.

Molecular Properties

Compound NameN-(diaminomethyl)acetamide
PubChem CID55283943
Molecular FormulaC3H9N3O
Molecular Weight103.12 g/mol
Exact Mass103.07
IUPAC NameN-(diaminomethyl)acetamide
SMILESCC(=O)NC(N)N
InChIInChI=1S/C3H9N3O/c1-2(7)6-3(4)5/h3H,4-5H2,1H3,(H,6,7)
InChIKeyGXGGFHUXEFWHGU-UHFFFAOYSA-N
XLogP-1.68
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
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

Acetamide, N-[(methylamino)carbonyl]-
CID 69337
N,N'-Methylenebis(acetamide)
CID 77460
Acetamide, N-((dimethylamino)methyl)-
CID 96002
N-(Bis-acetylamino-methyl)-acetamide
CID 536854
N-(5H-tetrazol-5-yl)acetamide
CID 10997043
N-[[acetyl(methyl)amino]methyl]acetamide
CID 12663134
N-(1-aminoethyl)acetamide
CID 18315181
Acetamidomethyl-ethyl-dimethylazanium
CID 18335916
Acetamidomethyl(trimethyl)azanium
CID 18711576
N-(methylaminomethyl)acetamide
CID 18725552
N-[[ethyl(sulfanyl)amino]methyl]acetamide
CID 18914862
1,3-dimethylurea;N-methylacetamide
CID 18957268

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethyl)acetamide?
The IUPAC name of N-(diaminomethyl)acetamide (CID 55283943) is N-(diaminomethyl)acetamide.
What is the SMILES notation for N-(diaminomethyl)acetamide?
The canonical SMILES for N-(diaminomethyl)acetamide is CC(=O)NC(N)N.
What is the InChIKey of N-(diaminomethyl)acetamide?
The InChIKey is GXGGFHUXEFWHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O/c1-2(7)6-3(4)5/h3H,4-5H2,1H3,(H,6,7).
What are the key properties of N-(diaminomethyl)acetamide?
N-(diaminomethyl)acetamide has a molecular weight of 103.12 g/mol, XLogP of -1.68, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethyl)acetamide is sourced from PubChem (CID 55283943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).