1-(4-methylpentan-2-yloxy)-3-(propan-2-ylamino)propan-2-ol

C12H27NO2 — CID 43166183

IUPAC1-(4-methylpentan-2-yloxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)CC(C)OCC(O)CNC(C)C
InChIInChI=1S/C12H27NO2/c1-9(2)6-11(5)15-8-12(14)7-13-10(3)4/h9-14H,6-8H2,1-5H3
InChIKeyADVLZPBUCIMNTR-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.80
Rot. Bonds8

About 1-(4-methylpentan-2-yloxy)-3-(propan-2-ylamino)propan-2-ol

1-(4-methylpentan-2-yloxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 43166183) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-(4-methylpentan-2-yloxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpentan-2-yloxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID43166183
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-(4-methylpentan-2-yloxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)CC(C)OCC(O)CNC(C)C
InChIInChI=1S/C12H27NO2/c1-9(2)6-11(5)15-8-12(14)7-13-10(3)4/h9-14H,6-8H2,1-5H3
InChIKeyADVLZPBUCIMNTR-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentan-2-yloxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(4-methylpentan-2-yloxy)-3-(propan-2-ylamino)propan-2-ol (CID 43166183) is 1-(4-methylpentan-2-yloxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-methylpentan-2-yloxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-methylpentan-2-yloxy)-3-(propan-2-ylamino)propan-2-ol is CC(C)CC(C)OCC(O)CNC(C)C.
What is the InChIKey of 1-(4-methylpentan-2-yloxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is ADVLZPBUCIMNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-9(2)6-11(5)15-8-12(14)7-13-10(3)4/h9-14H,6-8H2,1-5H3.
What are the key properties of 1-(4-methylpentan-2-yloxy)-3-(propan-2-ylamino)propan-2-ol?
1-(4-methylpentan-2-yloxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 217.35 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentan-2-yloxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 43166183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).