N-methyl-N-(propan-2-yloxymethyl)formamide

C6H13NO2 — CID 119098293

IUPACN-methyl-N-(propan-2-yloxymethyl)formamide
SMILESCC(C)OCN(C)C=O
InChIInChI=1S/C6H13NO2/c1-6(2)9-5-7(3)4-8/h4,6H,5H2,1-3H3
InChIKeyZLNVCWUGFTYTEC-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.46
Rot. Bonds4

About N-methyl-N-(propan-2-yloxymethyl)formamide

N-methyl-N-(propan-2-yloxymethyl)formamide (PubChem CID 119098293) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-methyl-N-(propan-2-yloxymethyl)formamide.

Molecular Properties

Compound NameN-methyl-N-(propan-2-yloxymethyl)formamide
PubChem CID119098293
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-methyl-N-(propan-2-yloxymethyl)formamide
SMILESCC(C)OCN(C)C=O
InChIInChI=1S/C6H13NO2/c1-6(2)9-5-7(3)4-8/h4,6H,5H2,1-3H3
InChIKeyZLNVCWUGFTYTEC-UHFFFAOYSA-N
XLogP0.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-methyl-N-(propan-2-yloxymethyl)formamide?
The IUPAC name of N-methyl-N-(propan-2-yloxymethyl)formamide (CID 119098293) is N-methyl-N-(propan-2-yloxymethyl)formamide.
What is the SMILES notation for N-methyl-N-(propan-2-yloxymethyl)formamide?
The canonical SMILES for N-methyl-N-(propan-2-yloxymethyl)formamide is CC(C)OCN(C)C=O.
What is the InChIKey of N-methyl-N-(propan-2-yloxymethyl)formamide?
The InChIKey is ZLNVCWUGFTYTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2)9-5-7(3)4-8/h4,6H,5H2,1-3H3.
What are the key properties of N-methyl-N-(propan-2-yloxymethyl)formamide?
N-methyl-N-(propan-2-yloxymethyl)formamide has a molecular weight of 131.18 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(propan-2-yloxymethyl)formamide is sourced from PubChem (CID 119098293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).