3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-ol

C10H21NO — CID 3293124

IUPAC3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-ol
SMILESCC(C)(C)C(O)CN1CCCC1
InChIInChI=1S/C10H21NO/c1-10(2,3)9(12)8-11-6-4-5-7-11/h9,12H,4-8H2,1-3H3
InChIKeyYGCSCXDFYNEGKS-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds2

About 3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-ol

3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-ol (PubChem CID 3293124) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-ol
PubChem CID3293124
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-ol
SMILESCC(C)(C)C(O)CN1CCCC1
InChIInChI=1S/C10H21NO/c1-10(2,3)9(12)8-11-6-4-5-7-11/h9,12H,4-8H2,1-3H3
InChIKeyYGCSCXDFYNEGKS-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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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-ol?
The IUPAC name of 3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-ol (CID 3293124) is 3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-ol is CC(C)(C)C(O)CN1CCCC1.
What is the InChIKey of 3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-ol?
The InChIKey is YGCSCXDFYNEGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)9(12)8-11-6-4-5-7-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-ol?
3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-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 3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-ol is sourced from PubChem (CID 3293124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).