(5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine

C21H35N — CID 155647792

IUPAC(5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine
SMILESCC(C)c1cccc(C(C)C)c1N1[C@@H](C)C(C)(C)CC1(C)C
InChIInChI=1S/C21H35N/c1-14(2)17-11-10-12-18(15(3)4)19(17)22-16(5)20(6,7)13-21(22,8)9/h10-12,14-16H,13H2,1-9H3/t16-/m0/s1
InChIKeyRIFFSTQGCNWXAQ-INIZCTEOSA-N
MW301.52 g/mol
LogP6.34
Rot. Bonds3

About (5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine

(5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine (PubChem CID 155647792) has the molecular formula C21H35N and a molecular weight of 301.52 g/mol. Its IUPAC name is (5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine.

Molecular Properties

Compound Name(5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine
PubChem CID155647792
Molecular FormulaC21H35N
Molecular Weight301.52 g/mol
Exact Mass301.28
IUPAC Name(5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine
SMILESCC(C)c1cccc(C(C)C)c1N1[C@@H](C)C(C)(C)CC1(C)C
InChIInChI=1S/C21H35N/c1-14(2)17-11-10-12-18(15(3)4)19(17)22-16(5)20(6,7)13-21(22,8)9/h10-12,14-16H,13H2,1-9H3/t16-/m0/s1
InChIKeyRIFFSTQGCNWXAQ-INIZCTEOSA-N
XLogP6.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.52
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[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-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethyl-5-(trichloromethyl)pyrrolidine
CID 132545970
5-[amino-(2,3,5,6-tetramethylphenyl)boranyl]-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethylpyrrolidine
CID 146673220
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine
CID 71019583
5'-tert-butyl-1'-[2,6-di(propan-2-yl)phenyl]-2',2'-dimethylspiro[adamantane-2,4'-pyrrolidine]
CID 171439138
[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-ylidene]phosphanide
CID 139125846
1-tert-butyl-2-[2,6-di(propan-2-yl)phenyl]-3,3,9-trimethyl-6-propan-2-yl-2-azaspiro[4.5]decane
CID 171439150
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
2-[2,6-di(propan-2-yl)phenyl]-3,3-dimethyl-2-azaspiro[4.5]decane-1-thione
CID 139160540
(4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine
CID 171726440
(4R)-1-[2,6-di(propan-2-yl)phenyl]-4-ethyl-2,2-dimethyl-4-propylpyrrolidine
CID 145493199
N-[4-[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]phenyl]-N-naphthalen-1-yl-9H-fluoren-3-amine
CID 170073376

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine?
The IUPAC name of (5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine (CID 155647792) is (5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine.
What is the SMILES notation for (5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine?
The canonical SMILES for (5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine is CC(C)c1cccc(C(C)C)c1N1[C@@H](C)C(C)(C)CC1(C)C.
What is the InChIKey of (5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine?
The InChIKey is RIFFSTQGCNWXAQ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H35N/c1-14(2)17-11-10-12-18(15(3)4)19(17)22-16(5)20(6,7)13-21(22,8)9/h10-12,14-16H,13H2,1-9H3/t16-/m0/s1.
What are the key properties of (5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine?
(5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine has a molecular weight of 301.52 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine is sourced from PubChem (CID 155647792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).