2-(4-aminooxan-4-yl)propan-2-ol

C8H17NO2 — CID 83682189

IUPAC2-(4-aminooxan-4-yl)propan-2-ol
SMILESCC(C)(O)C1(N)CCOCC1
InChIInChI=1S/C8H17NO2/c1-7(2,10)8(9)3-5-11-6-4-8/h10H,3-6,9H2,1-2H3
InChIKeyCTSOFJLNUFDOQD-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.27
Rot. Bonds1

About 2-(4-aminooxan-4-yl)propan-2-ol

2-(4-aminooxan-4-yl)propan-2-ol (PubChem CID 83682189) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(4-aminooxan-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-aminooxan-4-yl)propan-2-ol
PubChem CID83682189
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(4-aminooxan-4-yl)propan-2-ol
SMILESCC(C)(O)C1(N)CCOCC1
InChIInChI=1S/C8H17NO2/c1-7(2,10)8(9)3-5-11-6-4-8/h10H,3-6,9H2,1-2H3
InChIKeyCTSOFJLNUFDOQD-UHFFFAOYSA-N
XLogP0.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminooxan-4-yl)propan-2-ol?
The IUPAC name of 2-(4-aminooxan-4-yl)propan-2-ol (CID 83682189) is 2-(4-aminooxan-4-yl)propan-2-ol.
What is the SMILES notation for 2-(4-aminooxan-4-yl)propan-2-ol?
The canonical SMILES for 2-(4-aminooxan-4-yl)propan-2-ol is CC(C)(O)C1(N)CCOCC1.
What is the InChIKey of 2-(4-aminooxan-4-yl)propan-2-ol?
The InChIKey is CTSOFJLNUFDOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(2,10)8(9)3-5-11-6-4-8/h10H,3-6,9H2,1-2H3.
What are the key properties of 2-(4-aminooxan-4-yl)propan-2-ol?
2-(4-aminooxan-4-yl)propan-2-ol has a molecular weight of 159.23 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminooxan-4-yl)propan-2-ol is sourced from PubChem (CID 83682189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).