N-(1,1-dimethoxypropan-2-yl)hydroxylamine

C5H13NO3 — CID 82686494

IUPACN-(1,1-dimethoxypropan-2-yl)hydroxylamine
SMILESCOC(OC)C(C)NO
InChIInChI=1S/C5H13NO3/c1-4(6-7)5(8-2)9-3/h4-7H,1-3H3
InChIKeyVDYLGMGVZOVQOO-UHFFFAOYSA-N
MW135.16 g/mol
LogP-0.03
Rot. Bonds4

About N-(1,1-dimethoxypropan-2-yl)hydroxylamine

N-(1,1-dimethoxypropan-2-yl)hydroxylamine (PubChem CID 82686494) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)hydroxylamine
PubChem CID82686494
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC NameN-(1,1-dimethoxypropan-2-yl)hydroxylamine
SMILESCOC(OC)C(C)NO
InChIInChI=1S/C5H13NO3/c1-4(6-7)5(8-2)9-3/h4-7H,1-3H3
InChIKeyVDYLGMGVZOVQOO-UHFFFAOYSA-N
XLogP-0.03
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxypropan-2-yl)hydroxylamine?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)hydroxylamine (CID 82686494) is N-(1,1-dimethoxypropan-2-yl)hydroxylamine.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)hydroxylamine?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)hydroxylamine is COC(OC)C(C)NO.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)hydroxylamine?
The InChIKey is VDYLGMGVZOVQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3/c1-4(6-7)5(8-2)9-3/h4-7H,1-3H3.
What are the key properties of N-(1,1-dimethoxypropan-2-yl)hydroxylamine?
N-(1,1-dimethoxypropan-2-yl)hydroxylamine has a molecular weight of 135.16 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)hydroxylamine is sourced from PubChem (CID 82686494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).