dimethylamino(methyl)cyanamide

C4H9N3 — CID 119095573

IUPACdimethylamino(methyl)cyanamide
SMILESCN(C)N(C)C#N
InChIInChI=1S/C4H9N3/c1-6(2)7(3)4-5/h1-3H3
InChIKeyDASKOSWPFCPPNE-UHFFFAOYSA-N
MW99.14 g/mol
LogP-0.12
Rot. Bonds1

About dimethylamino(methyl)cyanamide

dimethylamino(methyl)cyanamide (PubChem CID 119095573) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is dimethylamino(methyl)cyanamide.

Molecular Properties

Compound Namedimethylamino(methyl)cyanamide
PubChem CID119095573
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Namedimethylamino(methyl)cyanamide
SMILESCN(C)N(C)C#N
InChIInChI=1S/C4H9N3/c1-6(2)7(3)4-5/h1-3H3
InChIKeyDASKOSWPFCPPNE-UHFFFAOYSA-N
XLogP-0.12
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
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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Related Compounds

methyl(methylsulfanyl)cyanamide
CID 141410976
N,N-dimethylmethanamine;oxalonitrile;silane
CID 174689189
methyl(methylamino)cyanamide
CID 123328424
dicyanocyanamide
CID 14849309
[cyano(methyl)amino] methyl carbonate
CID 89283667
bis(methylsulfanyl)methyl-methylcyanamide
CID 134322093
[cyano(methyl)amino]-oxo-sulfidoazanium
CID 151077788
methyl(pentan-3-yl)cyanamide
CID 87839420
cyclobutyl(methyl)cyanamide
CID 54415728
diethylcyanamide
CID 12050
CID 134904447
CID 134904447
CID 6328236
CID 6328236

Frequently Asked Questions

What is the IUPAC name of dimethylamino(methyl)cyanamide?
The IUPAC name of dimethylamino(methyl)cyanamide (CID 119095573) is dimethylamino(methyl)cyanamide.
What is the SMILES notation for dimethylamino(methyl)cyanamide?
The canonical SMILES for dimethylamino(methyl)cyanamide is CN(C)N(C)C#N.
What is the InChIKey of dimethylamino(methyl)cyanamide?
The InChIKey is DASKOSWPFCPPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c1-6(2)7(3)4-5/h1-3H3.
What are the key properties of dimethylamino(methyl)cyanamide?
dimethylamino(methyl)cyanamide has a molecular weight of 99.14 g/mol, XLogP of -0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino(methyl)cyanamide is sourced from PubChem (CID 119095573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).