N-[3-(propan-2-yloxymethoxy)propyl]hydroxylamine

C7H17NO3 — CID 57023854

IUPACN-[3-(propan-2-yloxymethoxy)propyl]hydroxylamine
SMILESCC(C)OCOCCCNO
InChIInChI=1S/C7H17NO3/c1-7(2)11-6-10-5-3-4-8-9/h7-9H,3-6H2,1-2H3
InChIKeyDSOPTTPOBDSJHD-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.75
Rot. Bonds7

About N-[3-(propan-2-yloxymethoxy)propyl]hydroxylamine

N-[3-(propan-2-yloxymethoxy)propyl]hydroxylamine (PubChem CID 57023854) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N-[3-(propan-2-yloxymethoxy)propyl]hydroxylamine.

Molecular Properties

Compound NameN-[3-(propan-2-yloxymethoxy)propyl]hydroxylamine
PubChem CID57023854
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC NameN-[3-(propan-2-yloxymethoxy)propyl]hydroxylamine
SMILESCC(C)OCOCCCNO
InChIInChI=1S/C7H17NO3/c1-7(2)11-6-10-5-3-4-8-9/h7-9H,3-6H2,1-2H3
InChIKeyDSOPTTPOBDSJHD-UHFFFAOYSA-N
XLogP0.75
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-[3-(propan-2-yloxymethoxy)propoxy]ethanol
CID 57303789
methane;2-(2-propan-2-yloxyethoxy)propane;2-(propan-2-yloxymethoxy)propane
CID 159716296
trimethyl-[2-(propan-2-yloxymethoxy)ethyl]silane
CID 140699202
trifluoro-[3-(hydroxyamino)(213C)propoxymethyl]boranuide
CID 157397336
N-methyl-3-propan-2-yloxypropan-1-amine
CID 19842664
2-methyl-N-[3-(3-propan-2-yloxypropoxy)propyl]propan-2-amine
CID 166769035
3-methyl-1-[2-(propan-2-yloxymethoxymethoxy)ethoxy]butane
CID 167420760
2-(hydroperoxymethoxy)propane
CID 171037586
4-(4-propan-2-yloxybutoxy)butan-1-ol
CID 19930592
N-[2-(cyclopentylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 66323366
3-(2,2-dimethoxyethoxy)-N-propan-2-ylpropan-1-amine
CID 115486739
3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine
CID 22091458

Frequently Asked Questions

What is the IUPAC name of N-[3-(propan-2-yloxymethoxy)propyl]hydroxylamine?
The IUPAC name of N-[3-(propan-2-yloxymethoxy)propyl]hydroxylamine (CID 57023854) is N-[3-(propan-2-yloxymethoxy)propyl]hydroxylamine.
What is the SMILES notation for N-[3-(propan-2-yloxymethoxy)propyl]hydroxylamine?
The canonical SMILES for N-[3-(propan-2-yloxymethoxy)propyl]hydroxylamine is CC(C)OCOCCCNO.
What is the InChIKey of N-[3-(propan-2-yloxymethoxy)propyl]hydroxylamine?
The InChIKey is DSOPTTPOBDSJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3/c1-7(2)11-6-10-5-3-4-8-9/h7-9H,3-6H2,1-2H3.
What are the key properties of N-[3-(propan-2-yloxymethoxy)propyl]hydroxylamine?
N-[3-(propan-2-yloxymethoxy)propyl]hydroxylamine has a molecular weight of 163.22 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propan-2-yloxymethoxy)propyl]hydroxylamine is sourced from PubChem (CID 57023854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).