(3R,5R)-N,N-dimethyl-1,5-diphenylpyrrolidin-3-amine

C18H22N2 — CID 21149454

IUPAC(3R,5R)-N,N-dimethyl-1,5-diphenylpyrrolidin-3-amine
SMILESCN(C)[C@@H]1C[C@H](c2ccccc2)N(c2ccccc2)C1
InChIInChI=1S/C18H22N2/c1-19(2)17-13-18(15-9-5-3-6-10-15)20(14-17)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m1/s1
InChIKeyXSHXQKNIJVTSLI-QZTJIDSGSA-N
MW266.39 g/mol
LogP3.57
Rot. Bonds3

About (3R,5R)-N,N-dimethyl-1,5-diphenylpyrrolidin-3-amine

(3R,5R)-N,N-dimethyl-1,5-diphenylpyrrolidin-3-amine (PubChem CID 21149454) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (3R,5R)-N,N-dimethyl-1,5-diphenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,5R)-N,N-dimethyl-1,5-diphenylpyrrolidin-3-amine
PubChem CID21149454
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(3R,5R)-N,N-dimethyl-1,5-diphenylpyrrolidin-3-amine
SMILESCN(C)[C@@H]1C[C@H](c2ccccc2)N(c2ccccc2)C1
InChIInChI=1S/C18H22N2/c1-19(2)17-13-18(15-9-5-3-6-10-15)20(14-17)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m1/s1
InChIKeyXSHXQKNIJVTSLI-QZTJIDSGSA-N
XLogP3.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N,N-dimethyl-1,5-diphenylpyrrolidin-3-amine?
The IUPAC name of (3R,5R)-N,N-dimethyl-1,5-diphenylpyrrolidin-3-amine (CID 21149454) is (3R,5R)-N,N-dimethyl-1,5-diphenylpyrrolidin-3-amine.
What is the SMILES notation for (3R,5R)-N,N-dimethyl-1,5-diphenylpyrrolidin-3-amine?
The canonical SMILES for (3R,5R)-N,N-dimethyl-1,5-diphenylpyrrolidin-3-amine is CN(C)[C@@H]1C[C@H](c2ccccc2)N(c2ccccc2)C1.
What is the InChIKey of (3R,5R)-N,N-dimethyl-1,5-diphenylpyrrolidin-3-amine?
The InChIKey is XSHXQKNIJVTSLI-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H22N2/c1-19(2)17-13-18(15-9-5-3-6-10-15)20(14-17)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of (3R,5R)-N,N-dimethyl-1,5-diphenylpyrrolidin-3-amine?
(3R,5R)-N,N-dimethyl-1,5-diphenylpyrrolidin-3-amine has a molecular weight of 266.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N,N-dimethyl-1,5-diphenylpyrrolidin-3-amine is sourced from PubChem (CID 21149454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).