3-(1-propan-2-ylpyrrolidin-2-yl)propan-1-ol

C10H21NO — CID 62467615

IUPAC3-(1-propan-2-ylpyrrolidin-2-yl)propan-1-ol
SMILESCC(C)N1CCCC1CCCO
InChIInChI=1S/C10H21NO/c1-9(2)11-7-3-5-10(11)6-4-8-12/h9-10,12H,3-8H2,1-2H3
InChIKeyGESLJLDBSQRLOB-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.63
Rot. Bonds4

About 3-(1-propan-2-ylpyrrolidin-2-yl)propan-1-ol

3-(1-propan-2-ylpyrrolidin-2-yl)propan-1-ol (PubChem CID 62467615) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-(1-propan-2-ylpyrrolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-propan-2-ylpyrrolidin-2-yl)propan-1-ol
PubChem CID62467615
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-(1-propan-2-ylpyrrolidin-2-yl)propan-1-ol
SMILESCC(C)N1CCCC1CCCO
InChIInChI=1S/C10H21NO/c1-9(2)11-7-3-5-10(11)6-4-8-12/h9-10,12H,3-8H2,1-2H3
InChIKeyGESLJLDBSQRLOB-UHFFFAOYSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

1-(1-Methylpyrrolidin-2-yl)propan-2-ol
CID 270601
1-Methyl-2-pyrrolidineethanol
CID 93363
2-Pyrrolidinepropanol, 1-methyl-
CID 12261672
(S)-1-((S)-1-Methylpyrrolidin-2-yl)propan-2-ol
CID 11029951
Pseudohygroline
CID 12310695
3-(1-Methylpiperidin-2-yl)propan-1-ol
CID 18712959
(alphaR,2R)-alpha,1-Dimethyl-2-pyrrolidineethanol
CID 442642
(+)-Pseudohygroline
CID 11029949
(R)-2-(1-methylpyrrolidin-2-yl)ethanol
CID 6950163
3-[(3R,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol
CID 134827947
1-Methyl-2-pyrrolidineethanol, (2S)-
CID 643501
1-(13-Hydroxytridecyl)-1-methylpyrrolidinium
CID 4318347

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpyrrolidin-2-yl)propan-1-ol?
The IUPAC name of 3-(1-propan-2-ylpyrrolidin-2-yl)propan-1-ol (CID 62467615) is 3-(1-propan-2-ylpyrrolidin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1-propan-2-ylpyrrolidin-2-yl)propan-1-ol?
The canonical SMILES for 3-(1-propan-2-ylpyrrolidin-2-yl)propan-1-ol is CC(C)N1CCCC1CCCO.
What is the InChIKey of 3-(1-propan-2-ylpyrrolidin-2-yl)propan-1-ol?
The InChIKey is GESLJLDBSQRLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)11-7-3-5-10(11)6-4-8-12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 3-(1-propan-2-ylpyrrolidin-2-yl)propan-1-ol?
3-(1-propan-2-ylpyrrolidin-2-yl)propan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpyrrolidin-2-yl)propan-1-ol is sourced from PubChem (CID 62467615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).