1-(1-aminopropan-2-yloxy)propan-2-ol

C6H15NO2 — CID 87463093

IUPAC1-(1-aminopropan-2-yloxy)propan-2-ol
SMILESCC(O)COC(C)CN
InChIInChI=1S/C6H15NO2/c1-5(8)4-9-6(2)3-7/h5-6,8H,3-4,7H2,1-2H3
InChIKeyXFQWFWOZFVCMFS-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.27
Rot. Bonds4

About 1-(1-aminopropan-2-yloxy)propan-2-ol

1-(1-aminopropan-2-yloxy)propan-2-ol (PubChem CID 87463093) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-aminopropan-2-yloxy)propan-2-ol
PubChem CID87463093
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name1-(1-aminopropan-2-yloxy)propan-2-ol
SMILESCC(O)COC(C)CN
InChIInChI=1S/C6H15NO2/c1-5(8)4-9-6(2)3-7/h5-6,8H,3-4,7H2,1-2H3
InChIKeyXFQWFWOZFVCMFS-UHFFFAOYSA-N
XLogP-0.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(1-aminopropan-2-yloxy)propan-2-ol (CID 87463093) is 1-(1-aminopropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(1-aminopropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(1-aminopropan-2-yloxy)propan-2-ol is CC(O)COC(C)CN.
What is the InChIKey of 1-(1-aminopropan-2-yloxy)propan-2-ol?
The InChIKey is XFQWFWOZFVCMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-5(8)4-9-6(2)3-7/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 1-(1-aminopropan-2-yloxy)propan-2-ol?
1-(1-aminopropan-2-yloxy)propan-2-ol has a molecular weight of 133.19 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 87463093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).