2-[pyrrolidin-2-yl-(2,4,6-trimethylphenyl)methyl]pyrrolidine

C18H28N2 — CID 170905811

IUPAC2-[pyrrolidin-2-yl-(2,4,6-trimethylphenyl)methyl]pyrrolidine
SMILESCc1cc(C)c(C(C2CCCN2)C2CCCN2)c(C)c1
InChIInChI=1S/C18H28N2/c1-12-10-13(2)17(14(3)11-12)18(15-6-4-8-19-15)16-7-5-9-20-16/h10-11,15-16,18-20H,4-9H2,1-3H3
InChIKeyQNADUFGPSBBJCO-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.20
Rot. Bonds3

About 2-[pyrrolidin-2-yl-(2,4,6-trimethylphenyl)methyl]pyrrolidine

2-[pyrrolidin-2-yl-(2,4,6-trimethylphenyl)methyl]pyrrolidine (PubChem CID 170905811) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-[pyrrolidin-2-yl-(2,4,6-trimethylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[pyrrolidin-2-yl-(2,4,6-trimethylphenyl)methyl]pyrrolidine
PubChem CID170905811
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-[pyrrolidin-2-yl-(2,4,6-trimethylphenyl)methyl]pyrrolidine
SMILESCc1cc(C)c(C(C2CCCN2)C2CCCN2)c(C)c1
InChIInChI=1S/C18H28N2/c1-12-10-13(2)17(14(3)11-12)18(15-6-4-8-19-15)16-7-5-9-20-16/h10-11,15-16,18-20H,4-9H2,1-3H3
InChIKeyQNADUFGPSBBJCO-UHFFFAOYSA-N
XLogP3.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol
CID 79560822
(2-methoxy-3,5-dimethylphenyl)-piperidin-2-ylmethanol
CID 82341661
1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950924
1-(2,4-dimethylphenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine
CID 82289931
1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950884
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 142507494
(8-methyl-3,4-dihydro-2H-chromen-6-yl)-pyrrolidin-2-ylmethanol
CID 82244497
(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
CID 129418670
2-(2,4-dimethylphenyl)-2-piperidin-2-ylethanamine
CID 83986431
(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197
2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane
CID 114239669

Frequently Asked Questions

What is the IUPAC name of 2-[pyrrolidin-2-yl-(2,4,6-trimethylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[pyrrolidin-2-yl-(2,4,6-trimethylphenyl)methyl]pyrrolidine (CID 170905811) is 2-[pyrrolidin-2-yl-(2,4,6-trimethylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[pyrrolidin-2-yl-(2,4,6-trimethylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[pyrrolidin-2-yl-(2,4,6-trimethylphenyl)methyl]pyrrolidine is Cc1cc(C)c(C(C2CCCN2)C2CCCN2)c(C)c1.
What is the InChIKey of 2-[pyrrolidin-2-yl-(2,4,6-trimethylphenyl)methyl]pyrrolidine?
The InChIKey is QNADUFGPSBBJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-12-10-13(2)17(14(3)11-12)18(15-6-4-8-19-15)16-7-5-9-20-16/h10-11,15-16,18-20H,4-9H2,1-3H3.
What are the key properties of 2-[pyrrolidin-2-yl-(2,4,6-trimethylphenyl)methyl]pyrrolidine?
2-[pyrrolidin-2-yl-(2,4,6-trimethylphenyl)methyl]pyrrolidine has a molecular weight of 272.44 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pyrrolidin-2-yl-(2,4,6-trimethylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 170905811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).