4-(3-methylbutoxy)-1-propan-2-ylpyrrolidin-3-ol

C12H25NO2 — CID 121476013

IUPAC4-(3-methylbutoxy)-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)CCOC1CN(C(C)C)CC1O
InChIInChI=1S/C12H25NO2/c1-9(2)5-6-15-12-8-13(10(3)4)7-11(12)14/h9-12,14H,5-8H2,1-4H3
InChIKeyAKBNCTRPXAYWGO-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.50
Rot. Bonds5

About 4-(3-methylbutoxy)-1-propan-2-ylpyrrolidin-3-ol

4-(3-methylbutoxy)-1-propan-2-ylpyrrolidin-3-ol (PubChem CID 121476013) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-1-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-(3-methylbutoxy)-1-propan-2-ylpyrrolidin-3-ol
PubChem CID121476013
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-(3-methylbutoxy)-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)CCOC1CN(C(C)C)CC1O
InChIInChI=1S/C12H25NO2/c1-9(2)5-6-15-12-8-13(10(3)4)7-11(12)14/h9-12,14H,5-8H2,1-4H3
InChIKeyAKBNCTRPXAYWGO-UHFFFAOYSA-N
XLogP1.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-1-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of 4-(3-methylbutoxy)-1-propan-2-ylpyrrolidin-3-ol (CID 121476013) is 4-(3-methylbutoxy)-1-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for 4-(3-methylbutoxy)-1-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for 4-(3-methylbutoxy)-1-propan-2-ylpyrrolidin-3-ol is CC(C)CCOC1CN(C(C)C)CC1O.
What is the InChIKey of 4-(3-methylbutoxy)-1-propan-2-ylpyrrolidin-3-ol?
The InChIKey is AKBNCTRPXAYWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(2)5-6-15-12-8-13(10(3)4)7-11(12)14/h9-12,14H,5-8H2,1-4H3.
What are the key properties of 4-(3-methylbutoxy)-1-propan-2-ylpyrrolidin-3-ol?
4-(3-methylbutoxy)-1-propan-2-ylpyrrolidin-3-ol has a molecular weight of 215.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-1-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 121476013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).