(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]phenyl]-2,5-dimethylpyrrolidine

C18H28N2 — CID 101256343

IUPAC(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]phenyl]-2,5-dimethylpyrrolidine
SMILESC[C@@H]1CC[C@@H](C)N1c1ccccc1N1[C@H](C)CC[C@H]1C
InChIInChI=1S/C18H28N2/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4/h5-8,13-16H,9-12H2,1-4H3/t13-,14-,15-,16-/m1/s1
InChIKeyJCJCRSOQYVPOAK-KLHDSHLOSA-N
MW272.44 g/mol
LogP4.44
Rot. Bonds2

About (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]phenyl]-2,5-dimethylpyrrolidine

(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]phenyl]-2,5-dimethylpyrrolidine (PubChem CID 101256343) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]phenyl]-2,5-dimethylpyrrolidine.

Molecular Properties

Compound Name(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]phenyl]-2,5-dimethylpyrrolidine
PubChem CID101256343
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]phenyl]-2,5-dimethylpyrrolidine
SMILESC[C@@H]1CC[C@@H](C)N1c1ccccc1N1[C@H](C)CC[C@H]1C
InChIInChI=1S/C18H28N2/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4/h5-8,13-16H,9-12H2,1-4H3/t13-,14-,15-,16-/m1/s1
InChIKeyJCJCRSOQYVPOAK-KLHDSHLOSA-N
XLogP4.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]phenyl]-2,5-dimethylpyrrolidine?
The IUPAC name of (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]phenyl]-2,5-dimethylpyrrolidine (CID 101256343) is (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]phenyl]-2,5-dimethylpyrrolidine.
What is the SMILES notation for (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]phenyl]-2,5-dimethylpyrrolidine?
The canonical SMILES for (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]phenyl]-2,5-dimethylpyrrolidine is C[C@@H]1CC[C@@H](C)N1c1ccccc1N1[C@H](C)CC[C@H]1C.
What is the InChIKey of (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]phenyl]-2,5-dimethylpyrrolidine?
The InChIKey is JCJCRSOQYVPOAK-KLHDSHLOSA-N. The full InChI is InChI=1S/C18H28N2/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4/h5-8,13-16H,9-12H2,1-4H3/t13-,14-,15-,16-/m1/s1.
What are the key properties of (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]phenyl]-2,5-dimethylpyrrolidine?
(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]phenyl]-2,5-dimethylpyrrolidine has a molecular weight of 272.44 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]phenyl]-2,5-dimethylpyrrolidine is sourced from PubChem (CID 101256343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).