N-butyl-N-ethylformamide;propane

C10H23NO — CID 142460573

IUPACN-butyl-N-ethylformamide;propane
SMILESCCC.CCCCN(C=O)CC
InChIInChI=1S/C7H15NO.C3H8/c1-3-5-6-8(4-2)7-9;1-3-2/h7H,3-6H2,1-2H3;3H2,1-2H3
InChIKeyCSSQSOXVADGDGZ-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.68
Rot. Bonds5

About N-butyl-N-ethylformamide;propane

N-butyl-N-ethylformamide;propane (PubChem CID 142460573) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-butyl-N-ethylformamide;propane.

Molecular Properties

Compound NameN-butyl-N-ethylformamide;propane
PubChem CID142460573
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-butyl-N-ethylformamide;propane
SMILESCCC.CCCCN(C=O)CC
InChIInChI=1S/C7H15NO.C3H8/c1-3-5-6-8(4-2)7-9;1-3-2/h7H,3-6H2,1-2H3;3H2,1-2H3
InChIKeyCSSQSOXVADGDGZ-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.68
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;propane?
The IUPAC name of N-butyl-N-ethylformamide;propane (CID 142460573) is N-butyl-N-ethylformamide;propane.
What is the SMILES notation for N-butyl-N-ethylformamide;propane?
The canonical SMILES for N-butyl-N-ethylformamide;propane is CCC.CCCCN(C=O)CC.
What is the InChIKey of N-butyl-N-ethylformamide;propane?
The InChIKey is CSSQSOXVADGDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C3H8/c1-3-5-6-8(4-2)7-9;1-3-2/h7H,3-6H2,1-2H3;3H2,1-2H3.
What are the key properties of N-butyl-N-ethylformamide;propane?
N-butyl-N-ethylformamide;propane has a molecular weight of 173.30 g/mol, XLogP of 2.68, 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;propane is sourced from PubChem (CID 142460573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).