O-[1,3-bis(aminomethoxy)propan-2-yl]hydroxylamine

C5H15N3O3 — CID 162162897

IUPACO-[1,3-bis(aminomethoxy)propan-2-yl]hydroxylamine
SMILESNCOCC(COCN)ON
InChIInChI=1S/C5H15N3O3/c6-3-9-1-5(11-8)2-10-4-7/h5H,1-4,6-8H2
InChIKeyZMSONLMELUCQSI-UHFFFAOYSA-N
MW165.19 g/mol
LogP-1.89
Rot. Bonds7

About O-[1,3-bis(aminomethoxy)propan-2-yl]hydroxylamine

O-[1,3-bis(aminomethoxy)propan-2-yl]hydroxylamine (PubChem CID 162162897) has the molecular formula C5H15N3O3 and a molecular weight of 165.19 g/mol. Its IUPAC name is O-[1,3-bis(aminomethoxy)propan-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[1,3-bis(aminomethoxy)propan-2-yl]hydroxylamine
PubChem CID162162897
Molecular FormulaC5H15N3O3
Molecular Weight165.19 g/mol
Exact Mass165.11
IUPAC NameO-[1,3-bis(aminomethoxy)propan-2-yl]hydroxylamine
SMILESNCOCC(COCN)ON
InChIInChI=1S/C5H15N3O3/c6-3-9-1-5(11-8)2-10-4-7/h5H,1-4,6-8H2
InChIKeyZMSONLMELUCQSI-UHFFFAOYSA-N
XLogP-1.89
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

O-(1-aminooxy-3-ethoxypropan-2-yl)hydroxylamine
CID 87320683
2,2-difluoroethoxymethanamine
CID 162615781
[(2S)-2-phosphanylbutoxy]methanamine
CID 170364957
3-amino-2-aminooxypropan-1-ol
CID 163580799
2,3-diaminooxypropan-1-ol
CID 57423862
O-(1-amino-4-methylpentan-2-yl)hydroxylamine
CID 118970501
[3-(aminomethoxy)-2-methylpropyl] carbamate
CID 163953262
O-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine
CID 14814233
ethoxymethanamine;methane
CID 162196031
O-(5-methylhexan-3-yl)hydroxylamine
CID 174294741
heptadecoxymethanamine
CID 134173154
3-[2-[2-[2-(3-aminopropoxy)ethoxy]-3-[2,3-bis[2-(3-aminopropoxy)ethoxy]propoxy]propoxy]ethoxy]propan-1-amine
CID 59459957

Frequently Asked Questions

What is the IUPAC name of O-[1,3-bis(aminomethoxy)propan-2-yl]hydroxylamine?
The IUPAC name of O-[1,3-bis(aminomethoxy)propan-2-yl]hydroxylamine (CID 162162897) is O-[1,3-bis(aminomethoxy)propan-2-yl]hydroxylamine.
What is the SMILES notation for O-[1,3-bis(aminomethoxy)propan-2-yl]hydroxylamine?
The canonical SMILES for O-[1,3-bis(aminomethoxy)propan-2-yl]hydroxylamine is NCOCC(COCN)ON.
What is the InChIKey of O-[1,3-bis(aminomethoxy)propan-2-yl]hydroxylamine?
The InChIKey is ZMSONLMELUCQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3O3/c6-3-9-1-5(11-8)2-10-4-7/h5H,1-4,6-8H2.
What are the key properties of O-[1,3-bis(aminomethoxy)propan-2-yl]hydroxylamine?
O-[1,3-bis(aminomethoxy)propan-2-yl]hydroxylamine has a molecular weight of 165.19 g/mol, XLogP of -1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-[1,3-bis(aminomethoxy)propan-2-yl]hydroxylamine is sourced from PubChem (CID 162162897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).