N-(methoxymethyl)-N-propylformamide

C6H13NO2 — CID 88769877

IUPACN-(methoxymethyl)-N-propylformamide
SMILESCCCN(C=O)COC
InChIInChI=1S/C6H13NO2/c1-3-4-7(5-8)6-9-2/h5H,3-4,6H2,1-2H3
InChIKeyKHSUGGWDQYMIAW-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.46
Rot. Bonds5

About N-(methoxymethyl)-N-propylformamide

N-(methoxymethyl)-N-propylformamide (PubChem CID 88769877) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-(methoxymethyl)-N-propylformamide.

Molecular Properties

Compound NameN-(methoxymethyl)-N-propylformamide
PubChem CID88769877
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-(methoxymethyl)-N-propylformamide
SMILESCCCN(C=O)COC
InChIInChI=1S/C6H13NO2/c1-3-4-7(5-8)6-9-2/h5H,3-4,6H2,1-2H3
InChIKeyKHSUGGWDQYMIAW-UHFFFAOYSA-N
XLogP0.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-(methoxymethyl)-N-propylformamide?
The IUPAC name of N-(methoxymethyl)-N-propylformamide (CID 88769877) is N-(methoxymethyl)-N-propylformamide.
What is the SMILES notation for N-(methoxymethyl)-N-propylformamide?
The canonical SMILES for N-(methoxymethyl)-N-propylformamide is CCCN(C=O)COC.
What is the InChIKey of N-(methoxymethyl)-N-propylformamide?
The InChIKey is KHSUGGWDQYMIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-4-7(5-8)6-9-2/h5H,3-4,6H2,1-2H3.
What are the key properties of N-(methoxymethyl)-N-propylformamide?
N-(methoxymethyl)-N-propylformamide has a molecular weight of 131.18 g/mol, XLogP of 0.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-N-propylformamide is sourced from PubChem (CID 88769877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).