2-(3-methylbutyl)-2-(2-methylpropyl)pyrrolidine

C13H27N — CID 66468119

IUPAC2-(3-methylbutyl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CCC1(CC(C)C)CCCN1
InChIInChI=1S/C13H27N/c1-11(2)6-8-13(10-12(3)4)7-5-9-14-13/h11-12,14H,5-10H2,1-4H3
InChIKeyVYRBJFGNLRWOOO-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds5

About 2-(3-methylbutyl)-2-(2-methylpropyl)pyrrolidine

2-(3-methylbutyl)-2-(2-methylpropyl)pyrrolidine (PubChem CID 66468119) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-(3-methylbutyl)-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-methylbutyl)-2-(2-methylpropyl)pyrrolidine
PubChem CID66468119
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2-(3-methylbutyl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CCC1(CC(C)C)CCCN1
InChIInChI=1S/C13H27N/c1-11(2)6-8-13(10-12(3)4)7-5-9-14-13/h11-12,14H,5-10H2,1-4H3
InChIKeyVYRBJFGNLRWOOO-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-bis(2-methylpropyl)pyrrolidine
CID 66465846
2-butyl-2-(2-methylpropyl)pyrrolidine
CID 66467900
2-but-2-ynyl-2-(2-methylpropyl)pyrrolidine
CID 66465630
2-ethyl-2-(2-methylpentyl)pyrrolidine
CID 66466921
N-[(2-ethylpyrrolidin-2-yl)methyl]-N,3-dimethylbutan-1-amine
CID 83073009
2,2-dipropylpyrrolidine
CID 13332418
2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 82922545
2-ethyl-2-(2-ethylhexyl)pyrrolidine
CID 66468510
1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
CID 82878266
1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole
CID 79761396
2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 66467441
2-(2-methylpropyl)-2-pentan-2-ylpyrrolidine
CID 107896608

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 2-(3-methylbutyl)-2-(2-methylpropyl)pyrrolidine (CID 66468119) is 2-(3-methylbutyl)-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 2-(3-methylbutyl)-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 2-(3-methylbutyl)-2-(2-methylpropyl)pyrrolidine is CC(C)CCC1(CC(C)C)CCCN1.
What is the InChIKey of 2-(3-methylbutyl)-2-(2-methylpropyl)pyrrolidine?
The InChIKey is VYRBJFGNLRWOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-11(2)6-8-13(10-12(3)4)7-5-9-14-13/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2-(3-methylbutyl)-2-(2-methylpropyl)pyrrolidine?
2-(3-methylbutyl)-2-(2-methylpropyl)pyrrolidine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 66468119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).