1,2,2,5,5-pentamethyl-3-[5-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)pentan-2-yl]pyrrolidine

C23H46N2 — CID 122414767

IUPAC1,2,2,5,5-pentamethyl-3-[5-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)pentan-2-yl]pyrrolidine
SMILESCC(CCCC1CC(C)(C)N(C)C1(C)C)C1CC(C)(C)N(C)C1(C)C
InChIInChI=1S/C23H46N2/c1-17(19-16-21(4,5)25(11)23(19,8)9)13-12-14-18-15-20(2,3)24(10)22(18,6)7/h17-19H,12-16H2,1-11H3
InChIKeyXVVVZONAQSILRW-UHFFFAOYSA-N
MW350.64 g/mol
LogP5.81
Rot. Bonds5

About 1,2,2,5,5-pentamethyl-3-[5-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)pentan-2-yl]pyrrolidine

1,2,2,5,5-pentamethyl-3-[5-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)pentan-2-yl]pyrrolidine (PubChem CID 122414767) has the molecular formula C23H46N2 and a molecular weight of 350.64 g/mol. Its IUPAC name is 1,2,2,5,5-pentamethyl-3-[5-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)pentan-2-yl]pyrrolidine.

Molecular Properties

Compound Name1,2,2,5,5-pentamethyl-3-[5-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)pentan-2-yl]pyrrolidine
PubChem CID122414767
Molecular FormulaC23H46N2
Molecular Weight350.64 g/mol
Exact Mass350.37
IUPAC Name1,2,2,5,5-pentamethyl-3-[5-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)pentan-2-yl]pyrrolidine
SMILESCC(CCCC1CC(C)(C)N(C)C1(C)C)C1CC(C)(C)N(C)C1(C)C
InChIInChI=1S/C23H46N2/c1-17(19-16-21(4,5)25(11)23(19,8)9)13-12-14-18-15-20(2,3)24(10)22(18,6)7/h17-19H,12-16H2,1-11H3
InChIKeyXVVVZONAQSILRW-UHFFFAOYSA-N
XLogP5.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.64
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methane;1,2,2,6,6-pentamethyl-4-(4-methyloctyl)piperidine
CID 159909594
5-butan-2-yl-1,2,2-trimethylpiperazine
CID 64847098
2-[4,4-bis(1,2,2,6,6-pentamethylpiperidin-3-yl)butyl]propanedioic acid
CID 172761591
1-decyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 64839450
5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
CID 80696297
2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine
CID 64837896
5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine
CID 65097377
1,2,2,6,6-pentamethyl-4-octoxypiperidine
CID 155074808
8-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxyoctyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 138724292
2,2-dimethyl-5-propan-2-yl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518832
5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine
CID 64848829
5-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 118902622

Frequently Asked Questions

What is the IUPAC name of 1,2,2,5,5-pentamethyl-3-[5-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)pentan-2-yl]pyrrolidine?
The IUPAC name of 1,2,2,5,5-pentamethyl-3-[5-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)pentan-2-yl]pyrrolidine (CID 122414767) is 1,2,2,5,5-pentamethyl-3-[5-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)pentan-2-yl]pyrrolidine.
What is the SMILES notation for 1,2,2,5,5-pentamethyl-3-[5-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)pentan-2-yl]pyrrolidine?
The canonical SMILES for 1,2,2,5,5-pentamethyl-3-[5-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)pentan-2-yl]pyrrolidine is CC(CCCC1CC(C)(C)N(C)C1(C)C)C1CC(C)(C)N(C)C1(C)C.
What is the InChIKey of 1,2,2,5,5-pentamethyl-3-[5-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)pentan-2-yl]pyrrolidine?
The InChIKey is XVVVZONAQSILRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2/c1-17(19-16-21(4,5)25(11)23(19,8)9)13-12-14-18-15-20(2,3)24(10)22(18,6)7/h17-19H,12-16H2,1-11H3.
What are the key properties of 1,2,2,5,5-pentamethyl-3-[5-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)pentan-2-yl]pyrrolidine?
1,2,2,5,5-pentamethyl-3-[5-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)pentan-2-yl]pyrrolidine has a molecular weight of 350.64 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,5,5-pentamethyl-3-[5-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)pentan-2-yl]pyrrolidine is sourced from PubChem (CID 122414767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).