2-(aminomethylamino)acetonitrile

C3H7N3 — CID 54405021

IUPAC2-(aminomethylamino)acetonitrile
SMILESN#CCNCN
InChIInChI=1S/C3H7N3/c4-1-2-6-3-5/h6H,2-3,5H2
InChIKeyVQBPWKMJFDOFTK-UHFFFAOYSA-N
MW85.11 g/mol
LogP-0.98
Rot. Bonds2

About 2-(aminomethylamino)acetonitrile

2-(aminomethylamino)acetonitrile (PubChem CID 54405021) has the molecular formula C3H7N3 and a molecular weight of 85.11 g/mol. Its IUPAC name is 2-(aminomethylamino)acetonitrile.

Molecular Properties

Compound Name2-(aminomethylamino)acetonitrile
PubChem CID54405021
Molecular FormulaC3H7N3
Molecular Weight85.11 g/mol
Exact Mass85.06
IUPAC Name2-(aminomethylamino)acetonitrile
SMILESN#CCNCN
InChIInChI=1S/C3H7N3/c4-1-2-6-3-5/h6H,2-3,5H2
InChIKeyVQBPWKMJFDOFTK-UHFFFAOYSA-N
XLogP-0.98
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Isocyanomethylamino)acetonitrile
CID 59288064
2-Amino-2-(methylamino)acetonitrile
CID 57972800
2-(Diaminomethylamino)acetonitrile
CID 89280207
Cyanomethylcyanamide
CID 154221989
3,4-didehydro-2,5-dihydro-1H-imidazol-3-ium
CID 53630872

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethylamino)acetonitrile?
The IUPAC name of 2-(aminomethylamino)acetonitrile (CID 54405021) is 2-(aminomethylamino)acetonitrile.
What is the SMILES notation for 2-(aminomethylamino)acetonitrile?
The canonical SMILES for 2-(aminomethylamino)acetonitrile is N#CCNCN.
What is the InChIKey of 2-(aminomethylamino)acetonitrile?
The InChIKey is VQBPWKMJFDOFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3/c4-1-2-6-3-5/h6H,2-3,5H2.
What are the key properties of 2-(aminomethylamino)acetonitrile?
2-(aminomethylamino)acetonitrile has a molecular weight of 85.11 g/mol, XLogP of -0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethylamino)acetonitrile is sourced from PubChem (CID 54405021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).