5-butan-2-yl-1,3-dimethylpyrrolidin-3-ol

C10H21NO — CID 66831180

IUPAC5-butan-2-yl-1,3-dimethylpyrrolidin-3-ol
SMILESCCC(C)C1CC(C)(O)CN1C
InChIInChI=1S/C10H21NO/c1-5-8(2)9-6-10(3,12)7-11(9)4/h8-9,12H,5-7H2,1-4H3
InChIKeyKAKRGVOMMPEDIY-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds2

About 5-butan-2-yl-1,3-dimethylpyrrolidin-3-ol

5-butan-2-yl-1,3-dimethylpyrrolidin-3-ol (PubChem CID 66831180) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-butan-2-yl-1,3-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name5-butan-2-yl-1,3-dimethylpyrrolidin-3-ol
PubChem CID66831180
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-butan-2-yl-1,3-dimethylpyrrolidin-3-ol
SMILESCCC(C)C1CC(C)(O)CN1C
InChIInChI=1S/C10H21NO/c1-5-8(2)9-6-10(3,12)7-11(9)4/h8-9,12H,5-7H2,1-4H3
InChIKeyKAKRGVOMMPEDIY-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-6-(pyrrolidin-1-yl)heptan-2-ol
CID 216097
3-Fluoro-1,5-di(propan-2-yl)pyrrolidin-3-ol
CID 129229274
1-Ethyl-3-fluoro-5-propan-2-ylpyrrolidin-3-ol
CID 129229375
(3S)-1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 169651693
1-(1-Pyrrolidin-1-ylethyl)cyclopentan-1-ol
CID 14044376
1-[(2R)-1-methylpyrrolidin-2-yl]cyclohexan-1-ol
CID 10103850
5-[(1S)-1-(dibutylamino)-2-methylpropyl]nonan-5-ol
CID 10882000
2-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]propan-2-ol
CID 12179538
1-(1-Methylpyrrolidin-2-yl)cyclohexan-1-ol
CID 15758089
2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]propan-2-ol
CID 102209311
1-[(2S)-1-methylpyrrolidin-2-yl]cyclohexan-1-ol
CID 134976082
1,5-Dimethyl-3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol
CID 81467218

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1,3-dimethylpyrrolidin-3-ol?
The IUPAC name of 5-butan-2-yl-1,3-dimethylpyrrolidin-3-ol (CID 66831180) is 5-butan-2-yl-1,3-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 5-butan-2-yl-1,3-dimethylpyrrolidin-3-ol?
The canonical SMILES for 5-butan-2-yl-1,3-dimethylpyrrolidin-3-ol is CCC(C)C1CC(C)(O)CN1C.
What is the InChIKey of 5-butan-2-yl-1,3-dimethylpyrrolidin-3-ol?
The InChIKey is KAKRGVOMMPEDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-8(2)9-6-10(3,12)7-11(9)4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 5-butan-2-yl-1,3-dimethylpyrrolidin-3-ol?
5-butan-2-yl-1,3-dimethylpyrrolidin-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1,3-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 66831180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).