N-(1,4-dioxan-2-ylmethyl)hydroxylamine

C5H11NO3 — CID 88551230

IUPACN-(1,4-dioxan-2-ylmethyl)hydroxylamine
SMILESONCC1COCCO1
InChIInChI=1S/C5H11NO3/c7-6-3-5-4-8-1-2-9-5/h5-7H,1-4H2
InChIKeyGWPXISVXWLQNHV-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.62
Rot. Bonds2

About N-(1,4-dioxan-2-ylmethyl)hydroxylamine

N-(1,4-dioxan-2-ylmethyl)hydroxylamine (PubChem CID 88551230) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)hydroxylamine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)hydroxylamine
PubChem CID88551230
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC NameN-(1,4-dioxan-2-ylmethyl)hydroxylamine
SMILESONCC1COCCO1
InChIInChI=1S/C5H11NO3/c7-6-3-5-4-8-1-2-9-5/h5-7H,1-4H2
InChIKeyGWPXISVXWLQNHV-UHFFFAOYSA-N
XLogP-0.62
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 15422769
N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)carbamodithioate
CID 58922130
1,4,7,10,13-pentaoxacyclopentadec-2-ylmethylcarbamodithioic acid
CID 58922113
N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine
CID 12820576
1-amino-3-(1,4-dioxan-2-ylmethyl)thiourea
CID 61023162
N-(1,4-dioxan-2-ylmethyl)-2-fluoroethanamine
CID 80695502
6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol
CID 107703242
N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide
CID 61023976
trans-(1S,2S)-2-(1,4-dioxan-2-ylmethylamino)cyclopentan-1-ol
CID 102733169
N-(1,4-dioxan-2-ylmethyl)ethanesulfonamide
CID 61063379
2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane
CID 11760168
2-(1,4,7,10-tetraoxacyclododec-2-yl)ethanol
CID 21459614

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)hydroxylamine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)hydroxylamine (CID 88551230) is N-(1,4-dioxan-2-ylmethyl)hydroxylamine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)hydroxylamine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)hydroxylamine is ONCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)hydroxylamine?
The InChIKey is GWPXISVXWLQNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c7-6-3-5-4-8-1-2-9-5/h5-7H,1-4H2.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)hydroxylamine?
N-(1,4-dioxan-2-ylmethyl)hydroxylamine has a molecular weight of 133.15 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)hydroxylamine is sourced from PubChem (CID 88551230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).