N-ethyl-N-(3-methylbutyl)hexanamide

C13H27NO — CID 91693881

IUPACN-ethyl-N-(3-methylbutyl)hexanamide
SMILESCCCCCC(=O)N(CC)CCC(C)C
InChIInChI=1S/C13H27NO/c1-5-7-8-9-13(15)14(6-2)11-10-12(3)4/h12H,5-11H2,1-4H3
InChIKeyZUWBTCIUTXQLDT-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.46
Rot. Bonds8

About N-ethyl-N-(3-methylbutyl)hexanamide

N-ethyl-N-(3-methylbutyl)hexanamide (PubChem CID 91693881) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-ethyl-N-(3-methylbutyl)hexanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylbutyl)hexanamide
PubChem CID91693881
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-ethyl-N-(3-methylbutyl)hexanamide
SMILESCCCCCC(=O)N(CC)CCC(C)C
InChIInChI=1S/C13H27NO/c1-5-7-8-9-13(15)14(6-2)11-10-12(3)4/h12H,5-11H2,1-4H3
InChIKeyZUWBTCIUTXQLDT-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylbutyl)hexanamide?
The IUPAC name of N-ethyl-N-(3-methylbutyl)hexanamide (CID 91693881) is N-ethyl-N-(3-methylbutyl)hexanamide.
What is the SMILES notation for N-ethyl-N-(3-methylbutyl)hexanamide?
The canonical SMILES for N-ethyl-N-(3-methylbutyl)hexanamide is CCCCCC(=O)N(CC)CCC(C)C.
What is the InChIKey of N-ethyl-N-(3-methylbutyl)hexanamide?
The InChIKey is ZUWBTCIUTXQLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-7-8-9-13(15)14(6-2)11-10-12(3)4/h12H,5-11H2,1-4H3.
What are the key properties of N-ethyl-N-(3-methylbutyl)hexanamide?
N-ethyl-N-(3-methylbutyl)hexanamide has a molecular weight of 213.36 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylbutyl)hexanamide is sourced from PubChem (CID 91693881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).