N-butyl-N-ethylformamide

C7H15NO — CID 12749099

IUPACN-butyl-N-ethylformamide
SMILESCCCCN(C=O)CC
InChIInChI=1S/C7H15NO/c1-3-5-6-8(4-2)7-9/h7H,3-6H2,1-2H3
InChIKeySJSLMHNGCRONAA-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.26
Rot. Bonds5

About N-butyl-N-ethylformamide

N-butyl-N-ethylformamide (PubChem CID 12749099) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-butyl-N-ethylformamide.

Molecular Properties

Compound NameN-butyl-N-ethylformamide
PubChem CID12749099
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-butyl-N-ethylformamide
SMILESCCCCN(C=O)CC
InChIInChI=1S/C7H15NO/c1-3-5-6-8(4-2)7-9/h7H,3-6H2,1-2H3
InChIKeySJSLMHNGCRONAA-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.26
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-ethylformamide?
The IUPAC name of N-butyl-N-ethylformamide (CID 12749099) is N-butyl-N-ethylformamide.
What is the SMILES notation for N-butyl-N-ethylformamide?
The canonical SMILES for N-butyl-N-ethylformamide is CCCCN(C=O)CC.
What is the InChIKey of N-butyl-N-ethylformamide?
The InChIKey is SJSLMHNGCRONAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-5-6-8(4-2)7-9/h7H,3-6H2,1-2H3.
What are the key properties of N-butyl-N-ethylformamide?
N-butyl-N-ethylformamide has a molecular weight of 129.20 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethylformamide is sourced from PubChem (CID 12749099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).