1-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine

C17H26N2 — CID 55054099

IUPAC1-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
SMILESCc1ccc(C)c(CN2CCCC2C2CCCN2)c1
InChIInChI=1S/C17H26N2/c1-13-7-8-14(2)15(11-13)12-19-10-4-6-17(19)16-5-3-9-18-16/h7-8,11,16-18H,3-6,9-10,12H2,1-2H3
InChIKeyFSCMCMQLZMGSPU-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.02
Rot. Bonds3

About 1-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine

1-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 55054099) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
PubChem CID55054099
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
SMILESCc1ccc(C)c(CN2CCCC2C2CCCN2)c1
InChIInChI=1S/C17H26N2/c1-13-7-8-14(2)15(11-13)12-19-10-4-6-17(19)16-5-3-9-18-16/h7-8,11,16-18H,3-6,9-10,12H2,1-2H3
InChIKeyFSCMCMQLZMGSPU-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine
CID 104869393
1-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62275065
1-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62274395
1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 66157263
1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273349
3-methyl-2-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine
CID 112650958
(1S,8aS)-2-[(2,5-dimethylphenyl)methyl]-1-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 51637608
3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 62274768
1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273875
1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 60977609
1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273920
1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane
CID 64858807

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine (CID 55054099) is 1-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine is Cc1ccc(C)c(CN2CCCC2C2CCCN2)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is FSCMCMQLZMGSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13-7-8-14(2)15(11-13)12-19-10-4-6-17(19)16-5-3-9-18-16/h7-8,11,16-18H,3-6,9-10,12H2,1-2H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
1-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 258.41 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 55054099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).