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

C14H24N2O — CID 22436704

IUPAC3-(benzylamino)oxy-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCONCc1ccccc1
InChIInChI=1S/C14H24N2O/c1-3-16(4-2)11-8-12-17-15-13-14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3
InChIKeyQKAZWKJFJUPYOG-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.44
Rot. Bonds9

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

3-(benzylamino)oxy-N,N-diethylpropan-1-amine (PubChem CID 22436704) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(benzylamino)oxy-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-(benzylamino)oxy-N,N-diethylpropan-1-amine
PubChem CID22436704
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-(benzylamino)oxy-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCONCc1ccccc1
InChIInChI=1S/C14H24N2O/c1-3-16(4-2)11-8-12-17-15-13-14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3
InChIKeyQKAZWKJFJUPYOG-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.44
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-diethylpropan-1-amine?
The IUPAC name of 3-(benzylamino)oxy-N,N-diethylpropan-1-amine (CID 22436704) is 3-(benzylamino)oxy-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-(benzylamino)oxy-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-(benzylamino)oxy-N,N-diethylpropan-1-amine is CCN(CC)CCCONCc1ccccc1.
What is the InChIKey of 3-(benzylamino)oxy-N,N-diethylpropan-1-amine?
The InChIKey is QKAZWKJFJUPYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-16(4-2)11-8-12-17-15-13-14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3.
What are the key properties of 3-(benzylamino)oxy-N,N-diethylpropan-1-amine?
3-(benzylamino)oxy-N,N-diethylpropan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.44, 9 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-diethylpropan-1-amine is sourced from PubChem (CID 22436704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).