2-(1-propan-2-ylpyrrolidin-2-yl)propan-2-ol

C10H21NO — CID 72560293

IUPAC2-(1-propan-2-ylpyrrolidin-2-yl)propan-2-ol
SMILESCC(C)N1CCCC1C(C)(C)O
InChIInChI=1S/C10H21NO/c1-8(2)11-7-5-6-9(11)10(3,4)12/h8-9,12H,5-7H2,1-4H3
InChIKeyJPKJGFZIWBGDAO-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.63
Rot. Bonds2

About 2-(1-propan-2-ylpyrrolidin-2-yl)propan-2-ol

2-(1-propan-2-ylpyrrolidin-2-yl)propan-2-ol (PubChem CID 72560293) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrrolidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrrolidin-2-yl)propan-2-ol
PubChem CID72560293
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-(1-propan-2-ylpyrrolidin-2-yl)propan-2-ol
SMILESCC(C)N1CCCC1C(C)(C)O
InChIInChI=1S/C10H21NO/c1-8(2)11-7-5-6-9(11)10(3,4)12/h8-9,12H,5-7H2,1-4H3
InChIKeyJPKJGFZIWBGDAO-UHFFFAOYSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrrolidin-2-yl)propan-2-ol?
The IUPAC name of 2-(1-propan-2-ylpyrrolidin-2-yl)propan-2-ol (CID 72560293) is 2-(1-propan-2-ylpyrrolidin-2-yl)propan-2-ol.
What is the SMILES notation for 2-(1-propan-2-ylpyrrolidin-2-yl)propan-2-ol?
The canonical SMILES for 2-(1-propan-2-ylpyrrolidin-2-yl)propan-2-ol is CC(C)N1CCCC1C(C)(C)O.
What is the InChIKey of 2-(1-propan-2-ylpyrrolidin-2-yl)propan-2-ol?
The InChIKey is JPKJGFZIWBGDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)11-7-5-6-9(11)10(3,4)12/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 2-(1-propan-2-ylpyrrolidin-2-yl)propan-2-ol?
2-(1-propan-2-ylpyrrolidin-2-yl)propan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrrolidin-2-yl)propan-2-ol is sourced from PubChem (CID 72560293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).