1-(tert-butylamino)-2-methyl-3-(5-methyloxolan-2-yl)propan-2-ol

C13H27NO2 — CID 103132323

IUPAC1-(tert-butylamino)-2-methyl-3-(5-methyloxolan-2-yl)propan-2-ol
SMILESCC1CCC(CC(C)(O)CNC(C)(C)C)O1
InChIInChI=1S/C13H27NO2/c1-10-6-7-11(16-10)8-13(5,15)9-14-12(2,3)4/h10-11,14-15H,6-9H2,1-5H3
InChIKeyPEIBCGIGGOAQED-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.08
Rot. Bonds4

About 1-(tert-butylamino)-2-methyl-3-(5-methyloxolan-2-yl)propan-2-ol

1-(tert-butylamino)-2-methyl-3-(5-methyloxolan-2-yl)propan-2-ol (PubChem CID 103132323) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-methyl-3-(5-methyloxolan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-methyl-3-(5-methyloxolan-2-yl)propan-2-ol
PubChem CID103132323
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-(tert-butylamino)-2-methyl-3-(5-methyloxolan-2-yl)propan-2-ol
SMILESCC1CCC(CC(C)(O)CNC(C)(C)C)O1
InChIInChI=1S/C13H27NO2/c1-10-6-7-11(16-10)8-13(5,15)9-14-12(2,3)4/h10-11,14-15H,6-9H2,1-5H3
InChIKeyPEIBCGIGGOAQED-UHFFFAOYSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-methyl-3-(5-methyloxolan-2-yl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-2-methyl-3-(5-methyloxolan-2-yl)propan-2-ol (CID 103132323) is 1-(tert-butylamino)-2-methyl-3-(5-methyloxolan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-methyl-3-(5-methyloxolan-2-yl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2-methyl-3-(5-methyloxolan-2-yl)propan-2-ol is CC1CCC(CC(C)(O)CNC(C)(C)C)O1.
What is the InChIKey of 1-(tert-butylamino)-2-methyl-3-(5-methyloxolan-2-yl)propan-2-ol?
The InChIKey is PEIBCGIGGOAQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10-6-7-11(16-10)8-13(5,15)9-14-12(2,3)4/h10-11,14-15H,6-9H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-2-methyl-3-(5-methyloxolan-2-yl)propan-2-ol?
1-(tert-butylamino)-2-methyl-3-(5-methyloxolan-2-yl)propan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2-methyl-3-(5-methyloxolan-2-yl)propan-2-ol is sourced from PubChem (CID 103132323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).