N-(3-methoxy-2-methylpropyl)formamide

C6H13NO2 — CID 57101516

IUPACN-(3-methoxy-2-methylpropyl)formamide
SMILESCOCC(C)CNC=O
InChIInChI=1S/C6H13NO2/c1-6(4-9-2)3-7-5-8/h5-6H,3-4H2,1-2H3,(H,7,8)
InChIKeyCHPLBJRTFHMLMT-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.01
Rot. Bonds5

About N-(3-methoxy-2-methylpropyl)formamide

N-(3-methoxy-2-methylpropyl)formamide (PubChem CID 57101516) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)formamide.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)formamide
PubChem CID57101516
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-(3-methoxy-2-methylpropyl)formamide
SMILESCOCC(C)CNC=O
InChIInChI=1S/C6H13NO2/c1-6(4-9-2)3-7-5-8/h5-6H,3-4H2,1-2H3,(H,7,8)
InChIKeyCHPLBJRTFHMLMT-UHFFFAOYSA-N
XLogP0.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methylpropyl)formamide?
The IUPAC name of N-(3-methoxy-2-methylpropyl)formamide (CID 57101516) is N-(3-methoxy-2-methylpropyl)formamide.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)formamide?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)formamide is COCC(C)CNC=O.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)formamide?
The InChIKey is CHPLBJRTFHMLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(4-9-2)3-7-5-8/h5-6H,3-4H2,1-2H3,(H,7,8).
What are the key properties of N-(3-methoxy-2-methylpropyl)formamide?
N-(3-methoxy-2-methylpropyl)formamide has a molecular weight of 131.18 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)formamide is sourced from PubChem (CID 57101516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).