N-butyl-N-octylformamide

C13H27NO — CID 12749101

IUPACN-butyl-N-octylformamide
SMILESCCCCCCCCN(C=O)CCCC
InChIInChI=1S/C13H27NO/c1-3-5-7-8-9-10-12-14(13-15)11-6-4-2/h13H,3-12H2,1-2H3
InChIKeyIMZXQUIQTAVMOQ-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.61
Rot. Bonds11

About N-butyl-N-octylformamide

N-butyl-N-octylformamide (PubChem CID 12749101) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-butyl-N-octylformamide.

Molecular Properties

Compound NameN-butyl-N-octylformamide
PubChem CID12749101
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-butyl-N-octylformamide
SMILESCCCCCCCCN(C=O)CCCC
InChIInChI=1S/C13H27NO/c1-3-5-7-8-9-10-12-14(13-15)11-6-4-2/h13H,3-12H2,1-2H3
InChIKeyIMZXQUIQTAVMOQ-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.61
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-butyl-N-octylformamide?
The IUPAC name of N-butyl-N-octylformamide (CID 12749101) is N-butyl-N-octylformamide.
What is the SMILES notation for N-butyl-N-octylformamide?
The canonical SMILES for N-butyl-N-octylformamide is CCCCCCCCN(C=O)CCCC.
What is the InChIKey of N-butyl-N-octylformamide?
The InChIKey is IMZXQUIQTAVMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-5-7-8-9-10-12-14(13-15)11-6-4-2/h13H,3-12H2,1-2H3.
What are the key properties of N-butyl-N-octylformamide?
N-butyl-N-octylformamide has a molecular weight of 213.36 g/mol, XLogP of 3.61, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-octylformamide is sourced from PubChem (CID 12749101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).