N-methylbutan-1-amine oxide

C5H13NO — CID 163978992

IUPACN-methylbutan-1-amine oxide
SMILESCCCC[NH+](C)[O-]
InChIInChI=1S/C5H13NO/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3
InChIKeySWRWCXHNLLPJDZ-UHFFFAOYSA-N
MW103.16 g/mol
LogP-0.20
Rot. Bonds3

About N-methylbutan-1-amine oxide

N-methylbutan-1-amine oxide (PubChem CID 163978992) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is N-methylbutan-1-amine oxide.

Molecular Properties

Compound NameN-methylbutan-1-amine oxide
PubChem CID163978992
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC NameN-methylbutan-1-amine oxide
SMILESCCCC[NH+](C)[O-]
InChIInChI=1S/C5H13NO/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3
InChIKeySWRWCXHNLLPJDZ-UHFFFAOYSA-N
XLogP-0.20
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-N-butyl-1-N-methylpentane-1,3-diamine oxide
CID 146917542
3,3-dihexoxy-N-methylpropan-1-amine oxide
CID 139977274
N-dodecyldodecan-1-amine oxide
CID 22112105
dodecane;N-propylpropan-1-amine oxide
CID 174371620
CID 163561884
CID 163561884
N-propyloctadecan-1-amine oxide
CID 87073468
N-methylmethanamine oxide;octadecan-1-amine
CID 174826833
N-propylpentadecan-1-amine oxide
CID 174870712
dibutyl(propyl)azanium;propane
CID 176561403
dibutyl(octadecyl)azanium
CID 18405855
methyl(dioctadecyl)azanium chlorite
CID 87492098
dodecyl(dimethyl)azanium fluoride
CID 160570915

Frequently Asked Questions

What is the IUPAC name of N-methylbutan-1-amine oxide?
The IUPAC name of N-methylbutan-1-amine oxide (CID 163978992) is N-methylbutan-1-amine oxide.
What is the SMILES notation for N-methylbutan-1-amine oxide?
The canonical SMILES for N-methylbutan-1-amine oxide is CCCC[NH+](C)[O-].
What is the InChIKey of N-methylbutan-1-amine oxide?
The InChIKey is SWRWCXHNLLPJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3.
What are the key properties of N-methylbutan-1-amine oxide?
N-methylbutan-1-amine oxide has a molecular weight of 103.16 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbutan-1-amine oxide is sourced from PubChem (CID 163978992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).