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

C16H34N2O — CID 55076513

IUPAC3-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)(CNC(C)(C)C)CN1CCCC1CCCO
InChIInChI=1S/C16H34N2O/c1-15(2,3)17-12-16(4,5)13-18-10-6-8-14(18)9-7-11-19/h14,17,19H,6-13H2,1-5H3
InChIKeyWMJOBRUDBIFSFN-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.64
Rot. Bonds7

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

3-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 55076513) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID55076513
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name3-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)(CNC(C)(C)C)CN1CCCC1CCCO
InChIInChI=1S/C16H34N2O/c1-15(2,3)17-12-16(4,5)13-18-10-6-8-14(18)9-7-11-19/h14,17,19H,6-13H2,1-5H3
InChIKeyWMJOBRUDBIFSFN-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol (CID 55076513) is 3-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol is CC(C)(CNC(C)(C)C)CN1CCCC1CCCO.
What is the InChIKey of 3-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is WMJOBRUDBIFSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-15(2,3)17-12-16(4,5)13-18-10-6-8-14(18)9-7-11-19/h14,17,19H,6-13H2,1-5H3.
What are the key properties of 3-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 55076513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).