N,N-dimethyl-3-[(1R)-1-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclopent-2-en-1-yl]aniline

C20H30N2O — CID 24796165

IUPACN,N-dimethyl-3-[(1R)-1-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclopent-2-en-1-yl]aniline
SMILESCN(C)c1cccc([C@@]2(C)CCC=C2OC[C@@H]2CCCN2C)c1
InChIInChI=1S/C20H30N2O/c1-20(16-8-5-9-17(14-16)21(2)3)12-6-11-19(20)23-15-18-10-7-13-22(18)4/h5,8-9,11,14,18H,6-7,10,12-13,15H2,1-4H3/t18-,20+/m0/s1
InChIKeyDUONXUPUKCWBNM-AZUAARDMSA-N
MW314.47 g/mol
LogP3.80
Rot. Bonds5

About N,N-dimethyl-3-[(1R)-1-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclopent-2-en-1-yl]aniline

N,N-dimethyl-3-[(1R)-1-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclopent-2-en-1-yl]aniline (PubChem CID 24796165) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is N,N-dimethyl-3-[(1R)-1-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclopent-2-en-1-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[(1R)-1-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclopent-2-en-1-yl]aniline
PubChem CID24796165
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC NameN,N-dimethyl-3-[(1R)-1-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclopent-2-en-1-yl]aniline
SMILESCN(C)c1cccc([C@@]2(C)CCC=C2OC[C@@H]2CCCN2C)c1
InChIInChI=1S/C20H30N2O/c1-20(16-8-5-9-17(14-16)21(2)3)12-6-11-19(20)23-15-18-10-7-13-22(18)4/h5,8-9,11,14,18H,6-7,10,12-13,15H2,1-4H3/t18-,20+/m0/s1
InChIKeyDUONXUPUKCWBNM-AZUAARDMSA-N
XLogP3.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 129823113
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(2R)-2-(methoxymethyl)-1-(3-methyl-4-propan-2-ylphenyl)pyrrolidine
CID 58970008
1-ethylspiro[2H-indole-3,3'-oxolane]
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CID 69088102
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CID 70605393
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CID 123727678
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CID 129268436
ethane;1,4',4'-trimethylspiro[2H-indole-3,3'-oxolane]
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CID 143838481
1-(3-Tert-butylphenyl)-2-(methoxymethyl)pyrrolidine
CID 145226294

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(1R)-1-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclopent-2-en-1-yl]aniline?
The IUPAC name of N,N-dimethyl-3-[(1R)-1-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclopent-2-en-1-yl]aniline (CID 24796165) is N,N-dimethyl-3-[(1R)-1-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclopent-2-en-1-yl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[(1R)-1-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclopent-2-en-1-yl]aniline?
The canonical SMILES for N,N-dimethyl-3-[(1R)-1-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclopent-2-en-1-yl]aniline is CN(C)c1cccc([C@@]2(C)CCC=C2OC[C@@H]2CCCN2C)c1.
What is the InChIKey of N,N-dimethyl-3-[(1R)-1-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclopent-2-en-1-yl]aniline?
The InChIKey is DUONXUPUKCWBNM-AZUAARDMSA-N. The full InChI is InChI=1S/C20H30N2O/c1-20(16-8-5-9-17(14-16)21(2)3)12-6-11-19(20)23-15-18-10-7-13-22(18)4/h5,8-9,11,14,18H,6-7,10,12-13,15H2,1-4H3/t18-,20+/m0/s1.
What are the key properties of N,N-dimethyl-3-[(1R)-1-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclopent-2-en-1-yl]aniline?
N,N-dimethyl-3-[(1R)-1-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclopent-2-en-1-yl]aniline has a molecular weight of 314.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(1R)-1-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclopent-2-en-1-yl]aniline is sourced from PubChem (CID 24796165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).