(3-aminooxan-3-yl)methanol

C6H13NO2 — CID 18316253

IUPAC(3-aminooxan-3-yl)methanol
SMILESNC1(CO)CCCOC1
InChIInChI=1S/C6H13NO2/c7-6(4-8)2-1-3-9-5-6/h8H,1-5,7H2
InChIKeyZTQVKNDICPICHG-UHFFFAOYSA-N
MW131.17 g/mol
LogP-0.51
Rot. Bonds1

About (3-aminooxan-3-yl)methanol

(3-aminooxan-3-yl)methanol (PubChem CID 18316253) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (3-aminooxan-3-yl)methanol.

Molecular Properties

Compound Name(3-aminooxan-3-yl)methanol
PubChem CID18316253
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(3-aminooxan-3-yl)methanol
SMILESNC1(CO)CCCOC1
InChIInChI=1S/C6H13NO2/c7-6(4-8)2-1-3-9-5-6/h8H,1-5,7H2
InChIKeyZTQVKNDICPICHG-UHFFFAOYSA-N
XLogP-0.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-aminooxan-3-yl)methanol?
The IUPAC name of (3-aminooxan-3-yl)methanol (CID 18316253) is (3-aminooxan-3-yl)methanol.
What is the SMILES notation for (3-aminooxan-3-yl)methanol?
The canonical SMILES for (3-aminooxan-3-yl)methanol is NC1(CO)CCCOC1.
What is the InChIKey of (3-aminooxan-3-yl)methanol?
The InChIKey is ZTQVKNDICPICHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c7-6(4-8)2-1-3-9-5-6/h8H,1-5,7H2.
What are the key properties of (3-aminooxan-3-yl)methanol?
(3-aminooxan-3-yl)methanol has a molecular weight of 131.17 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminooxan-3-yl)methanol is sourced from PubChem (CID 18316253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).