N-butyl-N-hexylformamide

C11H23NO — CID 12749100

IUPACN-butyl-N-hexylformamide
SMILESCCCCCCN(C=O)CCCC
InChIInChI=1S/C11H23NO/c1-3-5-7-8-10-12(11-13)9-6-4-2/h11H,3-10H2,1-2H3
InChIKeyZZFNKQVFYIRTOY-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.83
Rot. Bonds9

About N-butyl-N-hexylformamide

N-butyl-N-hexylformamide (PubChem CID 12749100) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-butyl-N-hexylformamide.

Molecular Properties

Compound NameN-butyl-N-hexylformamide
PubChem CID12749100
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-butyl-N-hexylformamide
SMILESCCCCCCN(C=O)CCCC
InChIInChI=1S/C11H23NO/c1-3-5-7-8-10-12(11-13)9-6-4-2/h11H,3-10H2,1-2H3
InChIKeyZZFNKQVFYIRTOY-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.83
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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Related Compounds

N,N-Dibutylformamide
CID 12975
n,n-Dihexylacetamide
CID 243972
Formamide, N-cyclopentyl-N-propyl-(9CI)
CID 10773209
N-Cyclohexyl-N-ethylformamide
CID 10773210
N-dodecyl-N-methylformamide
CID 12651456
N-cyclopropyl-N-heptyl-formamide
CID 10535470
N-cyclohexyl-N-propyl-formamide
CID 10583265
N-Cyclohexyl-N-isopropyl-formamide
CID 10654696
Formamide, N,N-dioctyl-
CID 221420
N,N-didodecylformamide
CID 614602
Formamide, N,N-dihexyl-
CID 10420764
Methylhexylformamide
CID 272128

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-hexylformamide?
The IUPAC name of N-butyl-N-hexylformamide (CID 12749100) is N-butyl-N-hexylformamide.
What is the SMILES notation for N-butyl-N-hexylformamide?
The canonical SMILES for N-butyl-N-hexylformamide is CCCCCCN(C=O)CCCC.
What is the InChIKey of N-butyl-N-hexylformamide?
The InChIKey is ZZFNKQVFYIRTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-5-7-8-10-12(11-13)9-6-4-2/h11H,3-10H2,1-2H3.
What are the key properties of N-butyl-N-hexylformamide?
N-butyl-N-hexylformamide has a molecular weight of 185.31 g/mol, XLogP of 2.83, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-hexylformamide is sourced from PubChem (CID 12749100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).