3-[(dibenzylamino)methyl]-N-methyloxolan-3-amine

C20H26N2O — CID 130571738

IUPAC3-[(dibenzylamino)methyl]-N-methyloxolan-3-amine
SMILESCNC1(CN(Cc2ccccc2)Cc2ccccc2)CCOC1
InChIInChI=1S/C20H26N2O/c1-21-20(12-13-23-17-20)16-22(14-18-8-4-2-5-9-18)15-19-10-6-3-7-11-19/h2-11,21H,12-17H2,1H3
InChIKeyIUEKTHRRQVRMCA-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.07
Rot. Bonds7

About 3-[(dibenzylamino)methyl]-N-methyloxolan-3-amine

3-[(dibenzylamino)methyl]-N-methyloxolan-3-amine (PubChem CID 130571738) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-[(dibenzylamino)methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name3-[(dibenzylamino)methyl]-N-methyloxolan-3-amine
PubChem CID130571738
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-[(dibenzylamino)methyl]-N-methyloxolan-3-amine
SMILESCNC1(CN(Cc2ccccc2)Cc2ccccc2)CCOC1
InChIInChI=1S/C20H26N2O/c1-21-20(12-13-23-17-20)16-22(14-18-8-4-2-5-9-18)15-19-10-6-3-7-11-19/h2-11,21H,12-17H2,1H3
InChIKeyIUEKTHRRQVRMCA-UHFFFAOYSA-N
XLogP3.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(dibenzylamino)methyl]-N-methyloxolan-3-amine?
The IUPAC name of 3-[(dibenzylamino)methyl]-N-methyloxolan-3-amine (CID 130571738) is 3-[(dibenzylamino)methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for 3-[(dibenzylamino)methyl]-N-methyloxolan-3-amine?
The canonical SMILES for 3-[(dibenzylamino)methyl]-N-methyloxolan-3-amine is CNC1(CN(Cc2ccccc2)Cc2ccccc2)CCOC1.
What is the InChIKey of 3-[(dibenzylamino)methyl]-N-methyloxolan-3-amine?
The InChIKey is IUEKTHRRQVRMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-21-20(12-13-23-17-20)16-22(14-18-8-4-2-5-9-18)15-19-10-6-3-7-11-19/h2-11,21H,12-17H2,1H3.
What are the key properties of 3-[(dibenzylamino)methyl]-N-methyloxolan-3-amine?
3-[(dibenzylamino)methyl]-N-methyloxolan-3-amine has a molecular weight of 310.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dibenzylamino)methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 130571738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).