N-(methylamino)propan-1-amine oxide

C4H12N2O — CID 163685816

IUPACN-(methylamino)propan-1-amine oxide
SMILESCCC[NH+]([O-])NC
InChIInChI=1S/C4H12N2O/c1-3-4-6(7)5-2/h5-6H,3-4H2,1-2H3
InChIKeyJOTYXFFTZXJNFG-UHFFFAOYSA-N
MW104.15 g/mol
LogP-1.09
Rot. Bonds3

About N-(methylamino)propan-1-amine oxide

N-(methylamino)propan-1-amine oxide (PubChem CID 163685816) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is N-(methylamino)propan-1-amine oxide.

Molecular Properties

Compound NameN-(methylamino)propan-1-amine oxide
PubChem CID163685816
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC NameN-(methylamino)propan-1-amine oxide
SMILESCCC[NH+]([O-])NC
InChIInChI=1S/C4H12N2O/c1-3-4-6(7)5-2/h5-6H,3-4H2,1-2H3
InChIKeyJOTYXFFTZXJNFG-UHFFFAOYSA-N
XLogP-1.09
TPSA39.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[[methylamino(oxido)azaniumyl]amino]ethane
CID 163729711
N-methylbutan-1-amine oxide
CID 163978992
dodecane;N-propylpropan-1-amine oxide
CID 174371620
N-propylpentadecan-1-amine oxide
CID 174870712
N-propyloctadecan-1-amine oxide
CID 87073468
8-methyl-N-propylnonan-1-amine oxide
CID 140968134
dibutyl(propyl)azanium;propane
CID 176561403
(3S)-2-methyl-N-(methylamino)pentan-3-amine oxide
CID 163884989
N-dodecyldodecan-1-amine oxide
CID 22112105
butane;N-methylmethanamine;hydrochloride
CID 174856882
3-N-butyl-1-N-methylpentane-1,3-diamine oxide
CID 146917542
hexafluoroarsenic(1-);tripropylazanium
CID 45048798

Frequently Asked Questions

What is the IUPAC name of N-(methylamino)propan-1-amine oxide?
The IUPAC name of N-(methylamino)propan-1-amine oxide (CID 163685816) is N-(methylamino)propan-1-amine oxide.
What is the SMILES notation for N-(methylamino)propan-1-amine oxide?
The canonical SMILES for N-(methylamino)propan-1-amine oxide is CCC[NH+]([O-])NC.
What is the InChIKey of N-(methylamino)propan-1-amine oxide?
The InChIKey is JOTYXFFTZXJNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O/c1-3-4-6(7)5-2/h5-6H,3-4H2,1-2H3.
What are the key properties of N-(methylamino)propan-1-amine oxide?
N-(methylamino)propan-1-amine oxide has a molecular weight of 104.15 g/mol, XLogP of -1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylamino)propan-1-amine oxide is sourced from PubChem (CID 163685816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).