N-(propylaminooxy)propan-1-amine

C6H16N2O — CID 23031032

IUPACN-(propylaminooxy)propan-1-amine
SMILESCCCNONCCC
InChIInChI=1S/C6H16N2O/c1-3-5-7-9-8-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyZTAJLNOUSHODHI-UHFFFAOYSA-N
MW132.21 g/mol
LogP0.83
Rot. Bonds6

About N-(propylaminooxy)propan-1-amine

N-(propylaminooxy)propan-1-amine (PubChem CID 23031032) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is N-(propylaminooxy)propan-1-amine.

Molecular Properties

Compound NameN-(propylaminooxy)propan-1-amine
PubChem CID23031032
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC NameN-(propylaminooxy)propan-1-amine
SMILESCCCNONCCC
InChIInChI=1S/C6H16N2O/c1-3-5-7-9-8-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyZTAJLNOUSHODHI-UHFFFAOYSA-N
XLogP0.83
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 50.83
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

(3-Aminopropyl)(methoxy)amine
CID 19100836
2-(3-(Aminopropyl)amino)methanol
CID 20349732
Propylamine oxide
CID 21226530
Oxybis(2-ethylamine)
CID 21251927
N-hydroxy-diaminobutane
CID 101625038
ethane;N-propylhydroxylamine
CID 17807311
N-butylhydroxylamine;N-propylhydroxylamine
CID 18424001
Tris(ethylamino) borate
CID 18763933
Tris(propylamino) borate
CID 18764149
bis(N-oxidopropan-2-amine);platinum(2+)
CID 18983907
N-(butylaminooxy)butan-1-amine
CID 19356141
N-butylhydroxylamine;ethane
CID 20502351

Frequently Asked Questions

What is the IUPAC name of N-(propylaminooxy)propan-1-amine?
The IUPAC name of N-(propylaminooxy)propan-1-amine (CID 23031032) is N-(propylaminooxy)propan-1-amine.
What is the SMILES notation for N-(propylaminooxy)propan-1-amine?
The canonical SMILES for N-(propylaminooxy)propan-1-amine is CCCNONCCC.
What is the InChIKey of N-(propylaminooxy)propan-1-amine?
The InChIKey is ZTAJLNOUSHODHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-3-5-7-9-8-6-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of N-(propylaminooxy)propan-1-amine?
N-(propylaminooxy)propan-1-amine has a molecular weight of 132.21 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propylaminooxy)propan-1-amine is sourced from PubChem (CID 23031032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).