1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol

C13H28N2O — CID 62941549

IUPAC1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol
SMILESCC(C)(CNC(C)(C)C)CN1CCC(O)C1
InChIInChI=1S/C13H28N2O/c1-12(2,3)14-9-13(4,5)10-15-7-6-11(16)8-15/h11,14,16H,6-10H2,1-5H3
InChIKeyAORQZTFCXPQGPA-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds4

About 1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol

1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol (PubChem CID 62941549) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol
PubChem CID62941549
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol
SMILESCC(C)(CNC(C)(C)C)CN1CCC(O)C1
InChIInChI=1S/C13H28N2O/c1-12(2,3)14-9-13(4,5)10-15-7-6-11(16)8-15/h11,14,16H,6-10H2,1-5H3
InChIKeyAORQZTFCXPQGPA-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol (CID 62941549) is 1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol is CC(C)(CNC(C)(C)C)CN1CCC(O)C1.
What is the InChIKey of 1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol?
The InChIKey is AORQZTFCXPQGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2,3)14-9-13(4,5)10-15-7-6-11(16)8-15/h11,14,16H,6-10H2,1-5H3.
What are the key properties of 1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol?
1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol is sourced from PubChem (CID 62941549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).