2-[(2R)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

C21H35N3 — CID 166503867

IUPAC2-[(2R)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCN(CC1CCCN1C)c1ccccc1[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(5)16-17-10-8-14-22(17)4/h6-7,11-12,17,20H,8-10,13-16H2,1-5H3/t17?,20-/m1/s1
InChIKeyVVNYDGIAWNYZJV-UUSAFJCLSA-N
MW329.53 g/mol
LogP4.15
Rot. Bonds4

About 2-[(2R)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

2-[(2R)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (PubChem CID 166503867) has the molecular formula C21H35N3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 2-[(2R)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-[(2R)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
PubChem CID166503867
Molecular FormulaC21H35N3
Molecular Weight329.53 g/mol
Exact Mass329.28
IUPAC Name2-[(2R)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCN(CC1CCCN1C)c1ccccc1[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(5)16-17-10-8-14-22(17)4/h6-7,11-12,17,20H,8-10,13-16H2,1-5H3/t17?,20-/m1/s1
InChIKeyVVNYDGIAWNYZJV-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-[(2S)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-(trideuteriomethyl)aniline
CID 159373633
1-[1-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 172509603
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
CID 57253639
2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79318453
1-tert-butyl-2-(2-phenylphenyl)pyrrolidine
CID 158841914
(1R)-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 59423288
N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine
CID 79310034
(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-phenylpyrrolidine
CID 163924303
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol
CID 79318601
1-tert-butyl-2-[2-(trifluoromethoxy)phenyl]pyrrolidine
CID 167248870
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 175854724
N,2-dimethyl-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79319732

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The IUPAC name of 2-[(2R)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (CID 166503867) is 2-[(2R)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.
What is the SMILES notation for 2-[(2R)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The canonical SMILES for 2-[(2R)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is CN(CC1CCCN1C)c1ccccc1[C@H]1CCCN1C(C)(C)C.
What is the InChIKey of 2-[(2R)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The InChIKey is VVNYDGIAWNYZJV-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(5)16-17-10-8-14-22(17)4/h6-7,11-12,17,20H,8-10,13-16H2,1-5H3/t17?,20-/m1/s1.
What are the key properties of 2-[(2R)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
2-[(2R)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline 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 2-[(2R)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is sourced from PubChem (CID 166503867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).