N-octyl-N-propylformamide

C12H25NO — CID 12622738

IUPACN-octyl-N-propylformamide
SMILESCCCCCCCCN(C=O)CCC
InChIInChI=1S/C12H25NO/c1-3-5-6-7-8-9-11-13(12-14)10-4-2/h12H,3-11H2,1-2H3
InChIKeyOAHDZPJGNLHLIM-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.22
Rot. Bonds10

About N-octyl-N-propylformamide

N-octyl-N-propylformamide (PubChem CID 12622738) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-octyl-N-propylformamide.

Molecular Properties

Compound NameN-octyl-N-propylformamide
PubChem CID12622738
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-octyl-N-propylformamide
SMILESCCCCCCCCN(C=O)CCC
InChIInChI=1S/C12H25NO/c1-3-5-6-7-8-9-11-13(12-14)10-4-2/h12H,3-11H2,1-2H3
InChIKeyOAHDZPJGNLHLIM-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-octyl-N-propylformamide?
The IUPAC name of N-octyl-N-propylformamide (CID 12622738) is N-octyl-N-propylformamide.
What is the SMILES notation for N-octyl-N-propylformamide?
The canonical SMILES for N-octyl-N-propylformamide is CCCCCCCCN(C=O)CCC.
What is the InChIKey of N-octyl-N-propylformamide?
The InChIKey is OAHDZPJGNLHLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-6-7-8-9-11-13(12-14)10-4-2/h12H,3-11H2,1-2H3.
What are the key properties of N-octyl-N-propylformamide?
N-octyl-N-propylformamide has a molecular weight of 199.34 g/mol, XLogP of 3.22, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-N-propylformamide is sourced from PubChem (CID 12622738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).