methyl formate;N-methylpropan-2-amine

C6H15NO2 — CID 144602032

IUPACmethyl formate;N-methylpropan-2-amine
SMILESCNC(C)C.COC=O
InChIInChI=1S/C4H11N.C2H4O2/c1-4(2)5-3;1-4-2-3/h4-5H,1-3H3;2H,1H3
InChIKeyCGJWLHIWUYWUHF-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.40
Rot. Bonds2

About methyl formate;N-methylpropan-2-amine

methyl formate;N-methylpropan-2-amine (PubChem CID 144602032) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is methyl formate;N-methylpropan-2-amine.

Molecular Properties

Compound Namemethyl formate;N-methylpropan-2-amine
PubChem CID144602032
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Namemethyl formate;N-methylpropan-2-amine
SMILESCNC(C)C.COC=O
InChIInChI=1S/C4H11N.C2H4O2/c1-4(2)5-3;1-4-2-3/h4-5H,1-3H3;2H,1H3
InChIKeyCGJWLHIWUYWUHF-UHFFFAOYSA-N
XLogP0.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl formate;N-methylpropan-2-amine?
The IUPAC name of methyl formate;N-methylpropan-2-amine (CID 144602032) is methyl formate;N-methylpropan-2-amine.
What is the SMILES notation for methyl formate;N-methylpropan-2-amine?
The canonical SMILES for methyl formate;N-methylpropan-2-amine is CNC(C)C.COC=O.
What is the InChIKey of methyl formate;N-methylpropan-2-amine?
The InChIKey is CGJWLHIWUYWUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C2H4O2/c1-4(2)5-3;1-4-2-3/h4-5H,1-3H3;2H,1H3.
What are the key properties of methyl formate;N-methylpropan-2-amine?
methyl formate;N-methylpropan-2-amine has a molecular weight of 133.19 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl formate;N-methylpropan-2-amine is sourced from PubChem (CID 144602032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).