3-(benzylamino)oxy-N,N-dimethylpropan-1-amine

C12H20N2O — CID 22436703

IUPAC3-(benzylamino)oxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCONCc1ccccc1
InChIInChI=1S/C12H20N2O/c1-14(2)9-6-10-15-13-11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3
InChIKeyAMMICTDLJARYQU-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.66
Rot. Bonds7

About 3-(benzylamino)oxy-N,N-dimethylpropan-1-amine

3-(benzylamino)oxy-N,N-dimethylpropan-1-amine (PubChem CID 22436703) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-(benzylamino)oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(benzylamino)oxy-N,N-dimethylpropan-1-amine
PubChem CID22436703
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-(benzylamino)oxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCONCc1ccccc1
InChIInChI=1S/C12H20N2O/c1-14(2)9-6-10-15-13-11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3
InChIKeyAMMICTDLJARYQU-UHFFFAOYSA-N
XLogP1.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 3-(benzylamino)oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(benzylamino)oxy-N,N-dimethylpropan-1-amine (CID 22436703) is 3-(benzylamino)oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(benzylamino)oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(benzylamino)oxy-N,N-dimethylpropan-1-amine is CN(C)CCCONCc1ccccc1.
What is the InChIKey of 3-(benzylamino)oxy-N,N-dimethylpropan-1-amine?
The InChIKey is AMMICTDLJARYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14(2)9-6-10-15-13-11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3.
What are the key properties of 3-(benzylamino)oxy-N,N-dimethylpropan-1-amine?
3-(benzylamino)oxy-N,N-dimethylpropan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 22436703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).