(4R)-1-[2,6-di(propan-2-yl)phenyl]-4-ethyl-2,2-dimethyl-4-propylpyrrolidine

C23H39N — CID 145493199

IUPAC(4R)-1-[2,6-di(propan-2-yl)phenyl]-4-ethyl-2,2-dimethyl-4-propylpyrrolidine
SMILESCCC[C@@]1(CC)CN(c2c(C(C)C)cccc2C(C)C)C(C)(C)C1
InChIInChI=1S/C23H39N/c1-9-14-23(10-2)15-22(7,8)24(16-23)21-19(17(3)4)12-11-13-20(21)18(5)6/h11-13,17-18H,9-10,14-16H2,1-8H3/t23-/m1/s1
InChIKeyWPYGWEZJODAQMA-HSZRJFAPSA-N
MW329.57 g/mol
LogP7.12
Rot. Bonds6

About (4R)-1-[2,6-di(propan-2-yl)phenyl]-4-ethyl-2,2-dimethyl-4-propylpyrrolidine

(4R)-1-[2,6-di(propan-2-yl)phenyl]-4-ethyl-2,2-dimethyl-4-propylpyrrolidine (PubChem CID 145493199) has the molecular formula C23H39N and a molecular weight of 329.57 g/mol. Its IUPAC name is (4R)-1-[2,6-di(propan-2-yl)phenyl]-4-ethyl-2,2-dimethyl-4-propylpyrrolidine.

Molecular Properties

Compound Name(4R)-1-[2,6-di(propan-2-yl)phenyl]-4-ethyl-2,2-dimethyl-4-propylpyrrolidine
PubChem CID145493199
Molecular FormulaC23H39N
Molecular Weight329.57 g/mol
Exact Mass329.31
IUPAC Name(4R)-1-[2,6-di(propan-2-yl)phenyl]-4-ethyl-2,2-dimethyl-4-propylpyrrolidine
SMILESCCC[C@@]1(CC)CN(c2c(C(C)C)cccc2C(C)C)C(C)(C)C1
InChIInChI=1S/C23H39N/c1-9-14-23(10-2)15-22(7,8)24(16-23)21-19(17(3)4)12-11-13-20(21)18(5)6/h11-13,17-18H,9-10,14-16H2,1-8H3/t23-/m1/s1
InChIKeyWPYGWEZJODAQMA-HSZRJFAPSA-N
XLogP7.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine
CID 171726440
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine
CID 71019583
(4S)-2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-phenylpyrrolidine
CID 171726444
1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine
CID 162435803
2,2,4-trimethyl-1-(2-methyl-6-propan-2-ylphenyl)-4-[4-(2-methylpropyl)phenyl]pyrrolidine
CID 170637341
(5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine
CID 155647792
1,3-bis[2,6-di(propan-2-yl)phenyl]-2-ethylimidazolidine
CID 129027447
1'-[2,6-di(propan-2-yl)phenyl]-5,6-dimethoxy-2',2'-dimethylspiro[1,2-dihydroindene-3,4'-pyrrolidine]
CID 162733726
[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-ylidene]phosphanide
CID 139125846
[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]-[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]boranylideneborane
CID 102338200
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1-iodopropane
CID 159145853
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[2,6-di(propan-2-yl)phenyl]-4-ethyl-2,2-dimethyl-4-propylpyrrolidine?
The IUPAC name of (4R)-1-[2,6-di(propan-2-yl)phenyl]-4-ethyl-2,2-dimethyl-4-propylpyrrolidine (CID 145493199) is (4R)-1-[2,6-di(propan-2-yl)phenyl]-4-ethyl-2,2-dimethyl-4-propylpyrrolidine.
What is the SMILES notation for (4R)-1-[2,6-di(propan-2-yl)phenyl]-4-ethyl-2,2-dimethyl-4-propylpyrrolidine?
The canonical SMILES for (4R)-1-[2,6-di(propan-2-yl)phenyl]-4-ethyl-2,2-dimethyl-4-propylpyrrolidine is CCC[C@@]1(CC)CN(c2c(C(C)C)cccc2C(C)C)C(C)(C)C1.
What is the InChIKey of (4R)-1-[2,6-di(propan-2-yl)phenyl]-4-ethyl-2,2-dimethyl-4-propylpyrrolidine?
The InChIKey is WPYGWEZJODAQMA-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H39N/c1-9-14-23(10-2)15-22(7,8)24(16-23)21-19(17(3)4)12-11-13-20(21)18(5)6/h11-13,17-18H,9-10,14-16H2,1-8H3/t23-/m1/s1.
What are the key properties of (4R)-1-[2,6-di(propan-2-yl)phenyl]-4-ethyl-2,2-dimethyl-4-propylpyrrolidine?
(4R)-1-[2,6-di(propan-2-yl)phenyl]-4-ethyl-2,2-dimethyl-4-propylpyrrolidine has a molecular weight of 329.57 g/mol, XLogP of 7.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[2,6-di(propan-2-yl)phenyl]-4-ethyl-2,2-dimethyl-4-propylpyrrolidine is sourced from PubChem (CID 145493199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).