methyl formate;N-methylmethanamine

C4H11NO2 — CID 157043378

IUPACmethyl formate;N-methylmethanamine
SMILESCNC.COC=O
InChIInChI=1S/C2H7N.C2H4O2/c1-3-2;1-4-2-3/h3H,1-2H3;2H,1H3
InChIKeyQILWEUJRYKNOSK-UHFFFAOYSA-N
MW105.14 g/mol
LogP-0.38
Rot. Bonds1

About methyl formate;N-methylmethanamine

methyl formate;N-methylmethanamine (PubChem CID 157043378) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is methyl formate;N-methylmethanamine.

Molecular Properties

Compound Namemethyl formate;N-methylmethanamine
PubChem CID157043378
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC Namemethyl formate;N-methylmethanamine
SMILESCNC.COC=O
InChIInChI=1S/C2H7N.C2H4O2/c1-3-2;1-4-2-3/h3H,1-2H3;2H,1H3
InChIKeyQILWEUJRYKNOSK-UHFFFAOYSA-N
XLogP-0.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydron;methyl formate
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ethane;2-(methylamino)acetic acid;methyl formate
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formyl chloride;N-methylmethanamine
CID 159076445
methyl formate;octane;hydrochloride
CID 174875617
methyl formate;pyrrolidine
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methyl formate;1,1,2-trichloro-1,2,2-trifluoroethane
CID 88815015
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CID 157274522
ethane;methyl formate;naphthalene
CID 91128100

Frequently Asked Questions

What is the IUPAC name of methyl formate;N-methylmethanamine?
The IUPAC name of methyl formate;N-methylmethanamine (CID 157043378) is methyl formate;N-methylmethanamine.
What is the SMILES notation for methyl formate;N-methylmethanamine?
The canonical SMILES for methyl formate;N-methylmethanamine is CNC.COC=O.
What is the InChIKey of methyl formate;N-methylmethanamine?
The InChIKey is QILWEUJRYKNOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.C2H4O2/c1-3-2;1-4-2-3/h3H,1-2H3;2H,1H3.
What are the key properties of methyl formate;N-methylmethanamine?
methyl formate;N-methylmethanamine has a molecular weight of 105.14 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl formate;N-methylmethanamine is sourced from PubChem (CID 157043378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).