1-(tert-butylamino)-3-propan-2-yloxypropan-2-ol

C10H23NO2 — CID 12606686

IUPAC1-(tert-butylamino)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNC(C)(C)C
InChIInChI=1S/C10H23NO2/c1-8(2)13-7-9(12)6-11-10(3,4)5/h8-9,11-12H,6-7H2,1-5H3
InChIKeyBNORZPDJSZCUEC-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.16
Rot. Bonds5

About 1-(tert-butylamino)-3-propan-2-yloxypropan-2-ol

1-(tert-butylamino)-3-propan-2-yloxypropan-2-ol (PubChem CID 12606686) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-propan-2-yloxypropan-2-ol
PubChem CID12606686
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name1-(tert-butylamino)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNC(C)(C)C
InChIInChI=1S/C10H23NO2/c1-8(2)13-7-9(12)6-11-10(3,4)5/h8-9,11-12H,6-7H2,1-5H3
InChIKeyBNORZPDJSZCUEC-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-propan-2-yloxypropan-2-ol (CID 12606686) is 1-(tert-butylamino)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-propan-2-yloxypropan-2-ol?
The InChIKey is BNORZPDJSZCUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-8(2)13-7-9(12)6-11-10(3,4)5/h8-9,11-12H,6-7H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-3-propan-2-yloxypropan-2-ol?
1-(tert-butylamino)-3-propan-2-yloxypropan-2-ol has a molecular weight of 189.30 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 12606686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).