N,N-dibenzyl-3,3-diethoxypropan-1-amine

C21H29NO2 — CID 15749026

IUPACN,N-dibenzyl-3,3-diethoxypropan-1-amine
SMILESCCOC(CCN(Cc1ccccc1)Cc1ccccc1)OCC
InChIInChI=1S/C21H29NO2/c1-3-23-21(24-4-2)15-16-22(17-19-11-7-5-8-12-19)18-20-13-9-6-10-14-20/h5-14,21H,3-4,15-18H2,1-2H3
InChIKeyUNISQZIRCLTORR-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.48
Rot. Bonds11

About N,N-dibenzyl-3,3-diethoxypropan-1-amine

N,N-dibenzyl-3,3-diethoxypropan-1-amine (PubChem CID 15749026) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is N,N-dibenzyl-3,3-diethoxypropan-1-amine.

Molecular Properties

Compound NameN,N-dibenzyl-3,3-diethoxypropan-1-amine
PubChem CID15749026
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC NameN,N-dibenzyl-3,3-diethoxypropan-1-amine
SMILESCCOC(CCN(Cc1ccccc1)Cc1ccccc1)OCC
InChIInChI=1S/C21H29NO2/c1-3-23-21(24-4-2)15-16-22(17-19-11-7-5-8-12-19)18-20-13-9-6-10-14-20/h5-14,21H,3-4,15-18H2,1-2H3
InChIKeyUNISQZIRCLTORR-UHFFFAOYSA-N
XLogP4.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3,3-diethoxypropan-1-amine?
The IUPAC name of N,N-dibenzyl-3,3-diethoxypropan-1-amine (CID 15749026) is N,N-dibenzyl-3,3-diethoxypropan-1-amine.
What is the SMILES notation for N,N-dibenzyl-3,3-diethoxypropan-1-amine?
The canonical SMILES for N,N-dibenzyl-3,3-diethoxypropan-1-amine is CCOC(CCN(Cc1ccccc1)Cc1ccccc1)OCC.
What is the InChIKey of N,N-dibenzyl-3,3-diethoxypropan-1-amine?
The InChIKey is UNISQZIRCLTORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-3-23-21(24-4-2)15-16-22(17-19-11-7-5-8-12-19)18-20-13-9-6-10-14-20/h5-14,21H,3-4,15-18H2,1-2H3.
What are the key properties of N,N-dibenzyl-3,3-diethoxypropan-1-amine?
N,N-dibenzyl-3,3-diethoxypropan-1-amine has a molecular weight of 327.47 g/mol, XLogP of 4.48, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3,3-diethoxypropan-1-amine is sourced from PubChem (CID 15749026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).