N-[(aminomethylamino)methyl]acetamide

C4H11N3O — CID 20708558

IUPACN-[(aminomethylamino)methyl]acetamide
SMILESCC(=O)NCNCN
InChIInChI=1S/C4H11N3O/c1-4(8)7-3-6-2-5/h6H,2-3,5H2,1H3,(H,7,8)
InChIKeyFOZHUXSVZYMUQF-UHFFFAOYSA-N
MW117.15 g/mol
LogP-1.41
Rot. Bonds3

About N-[(aminomethylamino)methyl]acetamide

N-[(aminomethylamino)methyl]acetamide (PubChem CID 20708558) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is N-[(aminomethylamino)methyl]acetamide.

Molecular Properties

Compound NameN-[(aminomethylamino)methyl]acetamide
PubChem CID20708558
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC NameN-[(aminomethylamino)methyl]acetamide
SMILESCC(=O)NCNCN
InChIInChI=1S/C4H11N3O/c1-4(8)7-3-6-2-5/h6H,2-3,5H2,1H3,(H,7,8)
InChIKeyFOZHUXSVZYMUQF-UHFFFAOYSA-N
XLogP-1.41
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(aminomethylamino)methyl]acetamide?
The IUPAC name of N-[(aminomethylamino)methyl]acetamide (CID 20708558) is N-[(aminomethylamino)methyl]acetamide.
What is the SMILES notation for N-[(aminomethylamino)methyl]acetamide?
The canonical SMILES for N-[(aminomethylamino)methyl]acetamide is CC(=O)NCNCN.
What is the InChIKey of N-[(aminomethylamino)methyl]acetamide?
The InChIKey is FOZHUXSVZYMUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c1-4(8)7-3-6-2-5/h6H,2-3,5H2,1H3,(H,7,8).
What are the key properties of N-[(aminomethylamino)methyl]acetamide?
N-[(aminomethylamino)methyl]acetamide has a molecular weight of 117.15 g/mol, XLogP of -1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(aminomethylamino)methyl]acetamide is sourced from PubChem (CID 20708558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).