1-(2-ethylpyrrolidin-1-yl)-3-methyl-2-(methylamino)butan-1-ol

C12H26N2O — CID 139429163

IUPAC1-(2-ethylpyrrolidin-1-yl)-3-methyl-2-(methylamino)butan-1-ol
SMILESCCC1CCCN1C(O)C(NC)C(C)C
InChIInChI=1S/C12H26N2O/c1-5-10-7-6-8-14(10)12(15)11(13-4)9(2)3/h9-13,15H,5-8H2,1-4H3
InChIKeyUWVIAPQNGNNIJF-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.42
Rot. Bonds5

About 1-(2-ethylpyrrolidin-1-yl)-3-methyl-2-(methylamino)butan-1-ol

1-(2-ethylpyrrolidin-1-yl)-3-methyl-2-(methylamino)butan-1-ol (PubChem CID 139429163) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidin-1-yl)-3-methyl-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name1-(2-ethylpyrrolidin-1-yl)-3-methyl-2-(methylamino)butan-1-ol
PubChem CID139429163
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(2-ethylpyrrolidin-1-yl)-3-methyl-2-(methylamino)butan-1-ol
SMILESCCC1CCCN1C(O)C(NC)C(C)C
InChIInChI=1S/C12H26N2O/c1-5-10-7-6-8-14(10)12(15)11(13-4)9(2)3/h9-13,15H,5-8H2,1-4H3
InChIKeyUWVIAPQNGNNIJF-UHFFFAOYSA-N
XLogP1.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-3-methyl-2-(methylamino)butan-1-ol?
The IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-3-methyl-2-(methylamino)butan-1-ol (CID 139429163) is 1-(2-ethylpyrrolidin-1-yl)-3-methyl-2-(methylamino)butan-1-ol.
What is the SMILES notation for 1-(2-ethylpyrrolidin-1-yl)-3-methyl-2-(methylamino)butan-1-ol?
The canonical SMILES for 1-(2-ethylpyrrolidin-1-yl)-3-methyl-2-(methylamino)butan-1-ol is CCC1CCCN1C(O)C(NC)C(C)C.
What is the InChIKey of 1-(2-ethylpyrrolidin-1-yl)-3-methyl-2-(methylamino)butan-1-ol?
The InChIKey is UWVIAPQNGNNIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-10-7-6-8-14(10)12(15)11(13-4)9(2)3/h9-13,15H,5-8H2,1-4H3.
What are the key properties of 1-(2-ethylpyrrolidin-1-yl)-3-methyl-2-(methylamino)butan-1-ol?
1-(2-ethylpyrrolidin-1-yl)-3-methyl-2-(methylamino)butan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrrolidin-1-yl)-3-methyl-2-(methylamino)butan-1-ol is sourced from PubChem (CID 139429163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).