(2S)-1,2-dimethyl-5-(3-methylbutyl)pyrrolidine

C11H23N — CID 169105766

IUPAC(2S)-1,2-dimethyl-5-(3-methylbutyl)pyrrolidine
SMILESCC(C)CCC1CC[C@H](C)N1C
InChIInChI=1S/C11H23N/c1-9(2)5-7-11-8-6-10(3)12(11)4/h9-11H,5-8H2,1-4H3/t10-,11?/m0/s1
InChIKeyUQAVODVEQFEQOC-VUWPPUDQSA-N
MW169.31 g/mol
LogP2.91
Rot. Bonds3

About (2S)-1,2-dimethyl-5-(3-methylbutyl)pyrrolidine

(2S)-1,2-dimethyl-5-(3-methylbutyl)pyrrolidine (PubChem CID 169105766) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-5-(3-methylbutyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-5-(3-methylbutyl)pyrrolidine
PubChem CID169105766
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(2S)-1,2-dimethyl-5-(3-methylbutyl)pyrrolidine
SMILESCC(C)CCC1CC[C@H](C)N1C
InChIInChI=1S/C11H23N/c1-9(2)5-7-11-8-6-10(3)12(11)4/h9-11H,5-8H2,1-4H3/t10-,11?/m0/s1
InChIKeyUQAVODVEQFEQOC-VUWPPUDQSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S)-1,2-dimethyl-5-(3-methylbutyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,5-dimethylpyrrolidin-2-yl)propan-1-ol
CID 13152523
[(5R)-1,5-dimethylpyrrolidin-2-yl]methanol
CID 90247444
1-[1-[(2R,5R)-1,5-dimethylpyrrolidin-2-yl]propan-2-yl]piperidine
CID 163636180
N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine
CID 83221002
1-methyl-3-(3-methylbutyl)pyrrolidine
CID 58945066
6-methyl-1-(3-methylbutyl)piperidin-3-amine
CID 61238617
(2R,5R)-2,5-dimethyl-1-propan-2-ylpyrrolidine
CID 58977160
2-(3-methylbutyl)cyclopentane-1,3-dione
CID 574490
(1S)-1-methyl-3-(3-methylbutyl)cyclopentane
CID 148998562
1-(3-fluorobutyl)-2,5-dimethylpyrrolidine
CID 130702975
4-methyl-2-(3-methylbutyl)morpholine
CID 59613546
3-[2-(3-methylbutyl)piperidin-1-yl]propanoic acid
CID 119994332

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-5-(3-methylbutyl)pyrrolidine?
The IUPAC name of (2S)-1,2-dimethyl-5-(3-methylbutyl)pyrrolidine (CID 169105766) is (2S)-1,2-dimethyl-5-(3-methylbutyl)pyrrolidine.
What is the SMILES notation for (2S)-1,2-dimethyl-5-(3-methylbutyl)pyrrolidine?
The canonical SMILES for (2S)-1,2-dimethyl-5-(3-methylbutyl)pyrrolidine is CC(C)CCC1CC[C@H](C)N1C.
What is the InChIKey of (2S)-1,2-dimethyl-5-(3-methylbutyl)pyrrolidine?
The InChIKey is UQAVODVEQFEQOC-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H23N/c1-9(2)5-7-11-8-6-10(3)12(11)4/h9-11H,5-8H2,1-4H3/t10-,11?/m0/s1.
What are the key properties of (2S)-1,2-dimethyl-5-(3-methylbutyl)pyrrolidine?
(2S)-1,2-dimethyl-5-(3-methylbutyl)pyrrolidine has a molecular weight of 169.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethyl-5-(3-methylbutyl)pyrrolidine is sourced from PubChem (CID 169105766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).