2-ethyl-5-methyl-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidine

C12H24N2 — CID 164655269

IUPAC2-ethyl-5-methyl-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidine
SMILESCCC1CCC(C)N1C[C@H]1CCNC1
InChIInChI=1S/C12H24N2/c1-3-12-5-4-10(2)14(12)9-11-6-7-13-8-11/h10-13H,3-9H2,1-2H3/t10?,11-,12?/m0/s1
InChIKeyIYAOEKAWTPHFHV-CXQJBGSLSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds3

About 2-ethyl-5-methyl-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidine

2-ethyl-5-methyl-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidine (PubChem CID 164655269) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-ethyl-5-methyl-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-ethyl-5-methyl-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidine
PubChem CID164655269
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-ethyl-5-methyl-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidine
SMILESCCC1CCC(C)N1C[C@H]1CCNC1
InChIInChI=1S/C12H24N2/c1-3-12-5-4-10(2)14(12)9-11-6-7-13-8-11/h10-13H,3-9H2,1-2H3/t10?,11-,12?/m0/s1
InChIKeyIYAOEKAWTPHFHV-CXQJBGSLSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidine?
The IUPAC name of 2-ethyl-5-methyl-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidine (CID 164655269) is 2-ethyl-5-methyl-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidine.
What is the SMILES notation for 2-ethyl-5-methyl-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidine?
The canonical SMILES for 2-ethyl-5-methyl-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidine is CCC1CCC(C)N1C[C@H]1CCNC1.
What is the InChIKey of 2-ethyl-5-methyl-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidine?
The InChIKey is IYAOEKAWTPHFHV-CXQJBGSLSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-12-5-4-10(2)14(12)9-11-6-7-13-8-11/h10-13H,3-9H2,1-2H3/t10?,11-,12?/m0/s1.
What are the key properties of 2-ethyl-5-methyl-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidine?
2-ethyl-5-methyl-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidine is sourced from PubChem (CID 164655269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).