N-[3-(1,3-benzodioxol-5-yl)propyl]-N-methylhydroxylamine

C11H15NO3 — CID 171783070

IUPACN-[3-(1,3-benzodioxol-5-yl)propyl]-N-methylhydroxylamine
SMILESCN(O)CCCc1ccc2c(c1)OCO2
InChIInChI=1S/C11H15NO3/c1-12(13)6-2-3-9-4-5-10-11(7-9)15-8-14-10/h4-5,7,13H,2-3,6,8H2,1H3
InChIKeyMLPPGROWKBHDHN-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.67
Rot. Bonds4

About N-[3-(1,3-benzodioxol-5-yl)propyl]-N-methylhydroxylamine

N-[3-(1,3-benzodioxol-5-yl)propyl]-N-methylhydroxylamine (PubChem CID 171783070) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-yl)propyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-yl)propyl]-N-methylhydroxylamine
PubChem CID171783070
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC NameN-[3-(1,3-benzodioxol-5-yl)propyl]-N-methylhydroxylamine
SMILESCN(O)CCCc1ccc2c(c1)OCO2
InChIInChI=1S/C11H15NO3/c1-12(13)6-2-3-9-4-5-10-11(7-9)15-8-14-10/h4-5,7,13H,2-3,6,8H2,1H3
InChIKeyMLPPGROWKBHDHN-UHFFFAOYSA-N
XLogP1.67
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N,N-di(propan-2-yl)propan-1-amine
CID 20687152
8-(1,3-benzodioxol-5-yl)octan-2-one
CID 529778
(2S)-5-(1,3-benzodioxol-5-yl)-2-methylpentan-1-ol
CID 163079449
14-(1,3-benzodioxol-5-yl)tetradecan-2-one
CID 11325048
2-(1,3-benzodioxol-5-yl)-N-(methoxymethyl)-N-methylethanamine
CID 115258994
3-(1,3-benzodioxol-5-yl)propan-1-ol;propanoic acid
CID 175171619
2-[3-(1,3-benzodioxol-5-yl)propylamino]ethanol
CID 171619202
5-(2-chloroethyl)-1,3-benzodioxole
CID 15815969
2-[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128143
4-(1,3-benzodioxol-5-yl)-N-propan-2-ylbutan-1-amine
CID 98014825
2-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-1,1-dimethylhydrazine
CID 83005657
2-[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]acetonitrile
CID 115131336

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-yl)propyl]-N-methylhydroxylamine?
The IUPAC name of N-[3-(1,3-benzodioxol-5-yl)propyl]-N-methylhydroxylamine (CID 171783070) is N-[3-(1,3-benzodioxol-5-yl)propyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-yl)propyl]-N-methylhydroxylamine?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-yl)propyl]-N-methylhydroxylamine is CN(O)CCCc1ccc2c(c1)OCO2.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-yl)propyl]-N-methylhydroxylamine?
The InChIKey is MLPPGROWKBHDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-12(13)6-2-3-9-4-5-10-11(7-9)15-8-14-10/h4-5,7,13H,2-3,6,8H2,1H3.
What are the key properties of N-[3-(1,3-benzodioxol-5-yl)propyl]-N-methylhydroxylamine?
N-[3-(1,3-benzodioxol-5-yl)propyl]-N-methylhydroxylamine has a molecular weight of 209.25 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-yl)propyl]-N-methylhydroxylamine is sourced from PubChem (CID 171783070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).