1-[1-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

C21H35N3 — CID 172509603

IUPAC1-[1-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1c1ccccc1[C@H]1CCCN1C(C)(C)C
InChIInChI=1S/C21H35N3/c1-21(2,3)24-15-9-13-20(24)18-11-6-7-12-19(18)23-14-8-10-17(23)16-22(4)5/h6-7,11-12,17,20H,8-10,13-16H2,1-5H3/t17?,20-/m1/s1
InChIKeyBJOOXTWWXVKRFK-UUSAFJCLSA-N
MW329.53 g/mol
LogP4.15
Rot. Bonds4

About 1-[1-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 172509603) has the molecular formula C21H35N3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 1-[1-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID172509603
Molecular FormulaC21H35N3
Molecular Weight329.53 g/mol
Exact Mass329.28
IUPAC Name1-[1-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1c1ccccc1[C@H]1CCCN1C(C)(C)C
InChIInChI=1S/C21H35N3/c1-21(2,3)24-15-9-13-20(24)18-11-6-7-12-19(18)23-14-8-10-17(23)16-22(4)5/h6-7,11-12,17,20H,8-10,13-16H2,1-5H3/t17?,20-/m1/s1
InChIKeyBJOOXTWWXVKRFK-UUSAFJCLSA-N
XLogP4.15
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 166503867
2-[(2S)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-(trideuteriomethyl)aniline
CID 159373633
(2S)-1-tert-butyl-2-(2-methylphenyl)pyrrolidine
CID 157275128
3-[2-(1-tert-butylpyrrolidin-2-yl)phenyl]-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 161164754
1-tert-butyl-2-(2-phenylphenyl)pyrrolidine
CID 158841914
1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine
CID 21132217
(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-phenylpyrrolidine
CID 163924303
4-[2-(1-tert-butylpyrrolidin-2-yl)-4-chlorophenyl]-1-methyl-3,6-dihydro-2H-pyridine;2-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-7-methyl-2,7-diazaspiro[3.5]nonane;4-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-1-methylpyrazole;1-[1-[2-(1-tert-butylpyrrolidin-2-yl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine;4-[5-(1-tert-butylpyrrolidin-2-yl)pyrazol-1-yl]-1-methylpiperidine
CID 167594955
1-tert-butyl-2-[2-(trifluoromethoxy)phenyl]pyrrolidine
CID 167248870
1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine
CID 62889981
(1R)-1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine
CID 63368980
1-[1-(1H-imidazol-2-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 130979094

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 172509603) is 1-[1-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CCCN1c1ccccc1[C@H]1CCCN1C(C)(C)C.
What is the InChIKey of 1-[1-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is BJOOXTWWXVKRFK-UUSAFJCLSA-N. The full InChI is InChI=1S/C21H35N3/c1-21(2,3)24-15-9-13-20(24)18-11-6-7-12-19(18)23-14-8-10-17(23)16-22(4)5/h6-7,11-12,17,20H,8-10,13-16H2,1-5H3/t17?,20-/m1/s1.
What are the key properties of 1-[1-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 329.53 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 172509603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).