N-butyl-N-methylhydroxylamine;octanamide

C13H30N2O2 — CID 175725014

IUPACN-butyl-N-methylhydroxylamine;octanamide
SMILESCCCCCCCC(N)=O.CCCCN(C)O
InChIInChI=1S/C8H17NO.C5H13NO/c1-2-3-4-5-6-7-8(9)10;1-3-4-5-6(2)7/h2-7H2,1H3,(H2,9,10);7H,3-5H2,1-2H3
InChIKeyZYHQOYPKJQOXDK-UHFFFAOYSA-N
MW246.39 g/mol
LogP2.94
Rot. Bonds9

About N-butyl-N-methylhydroxylamine;octanamide

N-butyl-N-methylhydroxylamine;octanamide (PubChem CID 175725014) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is N-butyl-N-methylhydroxylamine;octanamide.

Molecular Properties

Compound NameN-butyl-N-methylhydroxylamine;octanamide
PubChem CID175725014
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC NameN-butyl-N-methylhydroxylamine;octanamide
SMILESCCCCCCCC(N)=O.CCCCN(C)O
InChIInChI=1S/C8H17NO.C5H13NO/c1-2-3-4-5-6-7-8(9)10;1-3-4-5-6(2)7/h2-7H2,1H3,(H2,9,10);7H,3-5H2,1-2H3
InChIKeyZYHQOYPKJQOXDK-UHFFFAOYSA-N
XLogP2.94
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
decanamide;N,N-dimethylpropan-1-amine
CID 160827812
N,N-dimethylhexan-1-amine;hexanediamide
CID 174907483
octadecanamide;hydrochloride
CID 87891779
octadecanamide;zinc
CID 87169213
butane;octanamide
CID 87511414
ethanol;tridecanamide
CID 174935457
CID 87899207
CID 87899207
N-methyl-N-propylacetamide;octadecanamide
CID 174331077
dodecanamide;N-methylmethanamine
CID 159337435

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylhydroxylamine;octanamide?
The IUPAC name of N-butyl-N-methylhydroxylamine;octanamide (CID 175725014) is N-butyl-N-methylhydroxylamine;octanamide.
What is the SMILES notation for N-butyl-N-methylhydroxylamine;octanamide?
The canonical SMILES for N-butyl-N-methylhydroxylamine;octanamide is CCCCCCCC(N)=O.CCCCN(C)O.
What is the InChIKey of N-butyl-N-methylhydroxylamine;octanamide?
The InChIKey is ZYHQOYPKJQOXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C5H13NO/c1-2-3-4-5-6-7-8(9)10;1-3-4-5-6(2)7/h2-7H2,1H3,(H2,9,10);7H,3-5H2,1-2H3.
What are the key properties of N-butyl-N-methylhydroxylamine;octanamide?
N-butyl-N-methylhydroxylamine;octanamide has a molecular weight of 246.39 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylhydroxylamine;octanamide is sourced from PubChem (CID 175725014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).