1-(3,3-dimethylbutyl)pyrrolidin-3-ol

C10H21NO — CID 18768948

IUPAC1-(3,3-dimethylbutyl)pyrrolidin-3-ol
SMILESCC(C)(C)CCN1CCC(O)C1
InChIInChI=1S/C10H21NO/c1-10(2,3)5-7-11-6-4-9(12)8-11/h9,12H,4-8H2,1-3H3
InChIKeyKRWNKXUAQYYQPS-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds2

About 1-(3,3-dimethylbutyl)pyrrolidin-3-ol

1-(3,3-dimethylbutyl)pyrrolidin-3-ol (PubChem CID 18768948) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)pyrrolidin-3-ol
PubChem CID18768948
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(3,3-dimethylbutyl)pyrrolidin-3-ol
SMILESCC(C)(C)CCN1CCC(O)C1
InChIInChI=1S/C10H21NO/c1-10(2,3)5-7-11-6-4-9(12)8-11/h9,12H,4-8H2,1-3H3
InChIKeyKRWNKXUAQYYQPS-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

1-(3,3-dimethylbutyl)azetidin-3-ol
CID 58530884
(3S)-1-(3,3,3-trichloropropyl)pyrrolidin-3-ol
CID 130693205
1-(3,3,4,4,4-pentafluorobutyl)pyrrolidin-3-ol
CID 121494130
[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
CID 62372609
3-bromo-1-(3,3-dimethylbutyl)pyrrolidine
CID 80676426
3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 80690905
1-(3-amino-3-methylbutyl)piperidin-3-ol
CID 82405665
(3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol
CID 34177188
(3R)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
CID 82892648
1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-ol
CID 131963195
1-(2-aminoethyl)pyrrolidin-3-ol;ethane
CID 145171245
(3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol
CID 59334347

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)pyrrolidin-3-ol?
The IUPAC name of 1-(3,3-dimethylbutyl)pyrrolidin-3-ol (CID 18768948) is 1-(3,3-dimethylbutyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(3,3-dimethylbutyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(3,3-dimethylbutyl)pyrrolidin-3-ol is CC(C)(C)CCN1CCC(O)C1.
What is the InChIKey of 1-(3,3-dimethylbutyl)pyrrolidin-3-ol?
The InChIKey is KRWNKXUAQYYQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)5-7-11-6-4-9(12)8-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutyl)pyrrolidin-3-ol?
1-(3,3-dimethylbutyl)pyrrolidin-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 1-(3,3-dimethylbutyl)pyrrolidin-3-ol is sourced from PubChem (CID 18768948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).