N-butyl-N-methylhexanamide

C11H23NO — CID 14950147

IUPACN-butyl-N-methylhexanamide
SMILESCCCCCC(=O)N(C)CCCC
InChIInChI=1S/C11H23NO/c1-4-6-8-9-11(13)12(3)10-7-5-2/h4-10H2,1-3H3
InChIKeyZXAHTAUEHNYBRA-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.83
Rot. Bonds7

About N-butyl-N-methylhexanamide

N-butyl-N-methylhexanamide (PubChem CID 14950147) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-butyl-N-methylhexanamide.

Molecular Properties

Compound NameN-butyl-N-methylhexanamide
PubChem CID14950147
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-butyl-N-methylhexanamide
SMILESCCCCCC(=O)N(C)CCCC
InChIInChI=1S/C11H23NO/c1-4-6-8-9-11(13)12(3)10-7-5-2/h4-10H2,1-3H3
InChIKeyZXAHTAUEHNYBRA-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylhexanamide?
The IUPAC name of N-butyl-N-methylhexanamide (CID 14950147) is N-butyl-N-methylhexanamide.
What is the SMILES notation for N-butyl-N-methylhexanamide?
The canonical SMILES for N-butyl-N-methylhexanamide is CCCCCC(=O)N(C)CCCC.
What is the InChIKey of N-butyl-N-methylhexanamide?
The InChIKey is ZXAHTAUEHNYBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-6-8-9-11(13)12(3)10-7-5-2/h4-10H2,1-3H3.
What are the key properties of N-butyl-N-methylhexanamide?
N-butyl-N-methylhexanamide has a molecular weight of 185.31 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylhexanamide is sourced from PubChem (CID 14950147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).