N-(methylaminomethyl)formamide

C3H8N2O — CID 20608441

IUPACN-(methylaminomethyl)formamide
SMILESCNCNC=O
InChIInChI=1S/C3H8N2O/c1-4-2-5-3-6/h3-4H,2H2,1H3,(H,5,6)
InChIKeyDBIONTXAHBTTDW-UHFFFAOYSA-N
MW88.11 g/mol
LogP-1.09
Rot. Bonds3

About N-(methylaminomethyl)formamide

N-(methylaminomethyl)formamide (PubChem CID 20608441) has the molecular formula C3H8N2O and a molecular weight of 88.11 g/mol. Its IUPAC name is N-(methylaminomethyl)formamide.

Molecular Properties

Compound NameN-(methylaminomethyl)formamide
PubChem CID20608441
Molecular FormulaC3H8N2O
Molecular Weight88.11 g/mol
Exact Mass88.06
IUPAC NameN-(methylaminomethyl)formamide
SMILESCNCNC=O
InChIInChI=1S/C3H8N2O/c1-4-2-5-3-6/h3-4H,2H2,1H3,(H,5,6)
InChIKeyDBIONTXAHBTTDW-UHFFFAOYSA-N
XLogP-1.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-(methylaminomethyl)formamide?
The IUPAC name of N-(methylaminomethyl)formamide (CID 20608441) is N-(methylaminomethyl)formamide.
What is the SMILES notation for N-(methylaminomethyl)formamide?
The canonical SMILES for N-(methylaminomethyl)formamide is CNCNC=O.
What is the InChIKey of N-(methylaminomethyl)formamide?
The InChIKey is DBIONTXAHBTTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O/c1-4-2-5-3-6/h3-4H,2H2,1H3,(H,5,6).
What are the key properties of N-(methylaminomethyl)formamide?
N-(methylaminomethyl)formamide has a molecular weight of 88.11 g/mol, XLogP of -1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylaminomethyl)formamide is sourced from PubChem (CID 20608441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).