(2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine

C23H31NO2 — CID 155444946

IUPAC(2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine
SMILESC[C@H](C[C@H]1COC(C)(C)O1)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H31NO2/c1-19(14-22-18-25-23(2,3)26-22)15-24(16-20-10-6-4-7-11-20)17-21-12-8-5-9-13-21/h4-13,19,22H,14-18H2,1-3H3/t19-,22+/m1/s1
InChIKeyNLZUVEILQPNRNR-KNQAVFIVSA-N
MW353.51 g/mol
LogP4.87
Rot. Bonds8

About (2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine

(2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine (PubChem CID 155444946) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is (2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine
PubChem CID155444946
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name(2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine
SMILESC[C@H](C[C@H]1COC(C)(C)O1)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H31NO2/c1-19(14-22-18-25-23(2,3)26-22)15-24(16-20-10-6-4-7-11-20)17-21-12-8-5-9-13-21/h4-13,19,22H,14-18H2,1-3H3/t19-,22+/m1/s1
InChIKeyNLZUVEILQPNRNR-KNQAVFIVSA-N
XLogP4.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine?
The IUPAC name of (2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine (CID 155444946) is (2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for (2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for (2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine is C[C@H](C[C@H]1COC(C)(C)O1)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine?
The InChIKey is NLZUVEILQPNRNR-KNQAVFIVSA-N. The full InChI is InChI=1S/C23H31NO2/c1-19(14-22-18-25-23(2,3)26-22)15-24(16-20-10-6-4-7-11-20)17-21-12-8-5-9-13-21/h4-13,19,22H,14-18H2,1-3H3/t19-,22+/m1/s1.
What are the key properties of (2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine?
(2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine has a molecular weight of 353.51 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 155444946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).