N-butyl-N-methylformamide

C6H13NO — CID 14230

IUPACN-butyl-N-methylformamide
SMILESCCCCN(C)C=O
InChIInChI=1S/C6H13NO/c1-3-4-5-7(2)6-8/h6H,3-5H2,1-2H3
InChIKeyMCZIJQYYIXXDDA-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.87
Rot. Bonds4

About N-butyl-N-methylformamide

N-butyl-N-methylformamide (PubChem CID 14230) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N-butyl-N-methylformamide.

Molecular Properties

Compound NameN-butyl-N-methylformamide
PubChem CID14230
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN-butyl-N-methylformamide
SMILESCCCCN(C)C=O
InChIInChI=1S/C6H13NO/c1-3-4-5-7(2)6-8/h6H,3-5H2,1-2H3
InChIKeyMCZIJQYYIXXDDA-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-butyl-N-methylformamide?
The IUPAC name of N-butyl-N-methylformamide (CID 14230) is N-butyl-N-methylformamide.
What is the SMILES notation for N-butyl-N-methylformamide?
The canonical SMILES for N-butyl-N-methylformamide is CCCCN(C)C=O.
What is the InChIKey of N-butyl-N-methylformamide?
The InChIKey is MCZIJQYYIXXDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-4-5-7(2)6-8/h6H,3-5H2,1-2H3.
What are the key properties of N-butyl-N-methylformamide?
N-butyl-N-methylformamide has a molecular weight of 115.18 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylformamide is sourced from PubChem (CID 14230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).