methyl(methylamino)cyanamide

C3H7N3 — CID 123328424

IUPACmethyl(methylamino)cyanamide
SMILESCNN(C)C#N
InChIInChI=1S/C3H7N3/c1-5-6(2)3-4/h5H,1-2H3
InChIKeyNTFWSBHKPIJJFO-UHFFFAOYSA-N
MW85.11 g/mol
LogP-0.47
Rot. Bonds1

About methyl(methylamino)cyanamide

methyl(methylamino)cyanamide (PubChem CID 123328424) has the molecular formula C3H7N3 and a molecular weight of 85.11 g/mol. Its IUPAC name is methyl(methylamino)cyanamide.

Molecular Properties

Compound Namemethyl(methylamino)cyanamide
PubChem CID123328424
Molecular FormulaC3H7N3
Molecular Weight85.11 g/mol
Exact Mass85.06
IUPAC Namemethyl(methylamino)cyanamide
SMILESCNN(C)C#N
InChIInChI=1S/C3H7N3/c1-5-6(2)3-4/h5H,1-2H3
InChIKeyNTFWSBHKPIJJFO-UHFFFAOYSA-N
XLogP-0.47
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl(methylamino)cyanamide?
The IUPAC name of methyl(methylamino)cyanamide (CID 123328424) is methyl(methylamino)cyanamide.
What is the SMILES notation for methyl(methylamino)cyanamide?
The canonical SMILES for methyl(methylamino)cyanamide is CNN(C)C#N.
What is the InChIKey of methyl(methylamino)cyanamide?
The InChIKey is NTFWSBHKPIJJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3/c1-5-6(2)3-4/h5H,1-2H3.
What are the key properties of methyl(methylamino)cyanamide?
methyl(methylamino)cyanamide has a molecular weight of 85.11 g/mol, XLogP of -0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(methylamino)cyanamide is sourced from PubChem (CID 123328424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).