1-isocyano-N-methylmethanamine

C3H6N2 — CID 58742034

IUPAC1-isocyano-N-methylmethanamine
SMILES[C-]#[N+]CNC
InChIInChI=1S/C3H6N2/c1-4-3-5-2/h4H,3H2,1H3
InChIKeyKFGFFEZGGAQBON-UHFFFAOYSA-N
MW70.09 g/mol
LogP0.08
Rot. Bonds1

About 1-isocyano-N-methylmethanamine

1-isocyano-N-methylmethanamine (PubChem CID 58742034) has the molecular formula C3H6N2 and a molecular weight of 70.09 g/mol. Its IUPAC name is 1-isocyano-N-methylmethanamine.

Molecular Properties

Compound Name1-isocyano-N-methylmethanamine
PubChem CID58742034
Molecular FormulaC3H6N2
Molecular Weight70.09 g/mol
Exact Mass70.05
IUPAC Name1-isocyano-N-methylmethanamine
SMILES[C-]#[N+]CNC
InChIInChI=1S/C3H6N2/c1-4-3-5-2/h4H,3H2,1H3
InChIKeyKFGFFEZGGAQBON-UHFFFAOYSA-N
XLogP0.08
TPSA16.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.09
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(methylideneamino)methanamine
CID 59933642
2-[2-(2-isocyanoethoxy)ethoxy]-N-methylethanamine
CID 159488608
N,N'-dimethylmethanediamine;methane
CID 158590867
N'-ethyl-N-methylmethanediamine
CID 21026729
N-methylethanamine;hydrofluoride
CID 173445578
hafnium;bis(N-methylethanamine)
CID 158490256
N,N'-dimethylethane-1,2-diamine;ethane
CID 90689080
N-butan-2-yl-2-isocyanoacetamide
CID 108814669
1,2-dimethylhydrazine;ethane
CID 143378973
1-isocyano-N-methylbutan-1-amine
CID 58298346
bis(N-methylethanamine);molybdenum;hydrate
CID 175328548
2-isocyano-N-(2-isocyanoethyl)-N-methylethanamine
CID 18739549

Frequently Asked Questions

What is the IUPAC name of 1-isocyano-N-methylmethanamine?
The IUPAC name of 1-isocyano-N-methylmethanamine (CID 58742034) is 1-isocyano-N-methylmethanamine.
What is the SMILES notation for 1-isocyano-N-methylmethanamine?
The canonical SMILES for 1-isocyano-N-methylmethanamine is [C-]#[N+]CNC.
What is the InChIKey of 1-isocyano-N-methylmethanamine?
The InChIKey is KFGFFEZGGAQBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2/c1-4-3-5-2/h4H,3H2,1H3.
What are the key properties of 1-isocyano-N-methylmethanamine?
1-isocyano-N-methylmethanamine has a molecular weight of 70.09 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isocyano-N-methylmethanamine is sourced from PubChem (CID 58742034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).