N,N-dibenzyl-1-(oxiran-2-yl)methanamine

C17H19NO — CID 11276836

IUPACN,N-dibenzyl-1-(oxiran-2-yl)methanamine
SMILESc1ccc(CN(Cc2ccccc2)CC2CO2)cc1
InChIInChI=1S/C17H19NO/c1-3-7-15(8-4-1)11-18(13-17-14-19-17)12-16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyNJVDPMFWASDKDP-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.09
Rot. Bonds6

About N,N-dibenzyl-1-(oxiran-2-yl)methanamine

N,N-dibenzyl-1-(oxiran-2-yl)methanamine (PubChem CID 11276836) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is N,N-dibenzyl-1-(oxiran-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dibenzyl-1-(oxiran-2-yl)methanamine
PubChem CID11276836
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC NameN,N-dibenzyl-1-(oxiran-2-yl)methanamine
SMILESc1ccc(CN(Cc2ccccc2)CC2CO2)cc1
InChIInChI=1S/C17H19NO/c1-3-7-15(8-4-1)11-18(13-17-14-19-17)12-16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyNJVDPMFWASDKDP-UHFFFAOYSA-N
XLogP3.09
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-(oxiran-2-yl)methanamine?
The IUPAC name of N,N-dibenzyl-1-(oxiran-2-yl)methanamine (CID 11276836) is N,N-dibenzyl-1-(oxiran-2-yl)methanamine.
What is the SMILES notation for N,N-dibenzyl-1-(oxiran-2-yl)methanamine?
The canonical SMILES for N,N-dibenzyl-1-(oxiran-2-yl)methanamine is c1ccc(CN(Cc2ccccc2)CC2CO2)cc1.
What is the InChIKey of N,N-dibenzyl-1-(oxiran-2-yl)methanamine?
The InChIKey is NJVDPMFWASDKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-7-15(8-4-1)11-18(13-17-14-19-17)12-16-9-5-2-6-10-16/h1-10,17H,11-14H2.
What are the key properties of N,N-dibenzyl-1-(oxiran-2-yl)methanamine?
N,N-dibenzyl-1-(oxiran-2-yl)methanamine has a molecular weight of 253.35 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-(oxiran-2-yl)methanamine is sourced from PubChem (CID 11276836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).