(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

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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).