1-amino-2-(oxan-2-yl)propan-2-ol

C8H17NO2 — CID 139026645

IUPAC1-amino-2-(oxan-2-yl)propan-2-ol
SMILESCC(O)(CN)C1CCCCO1
InChIInChI=1S/C8H17NO2/c1-8(10,6-9)7-4-2-3-5-11-7/h7,10H,2-6,9H2,1H3
InChIKeyUXDQFMXPQCAQRZ-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.27
Rot. Bonds2

About 1-amino-2-(oxan-2-yl)propan-2-ol

1-amino-2-(oxan-2-yl)propan-2-ol (PubChem CID 139026645) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-amino-2-(oxan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-(oxan-2-yl)propan-2-ol
PubChem CID139026645
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-amino-2-(oxan-2-yl)propan-2-ol
SMILESCC(O)(CN)C1CCCCO1
InChIInChI=1S/C8H17NO2/c1-8(10,6-9)7-4-2-3-5-11-7/h7,10H,2-6,9H2,1H3
InChIKeyUXDQFMXPQCAQRZ-UHFFFAOYSA-N
XLogP0.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

(2R)-2-[(2S)-oxolan-2-yl]butan-2-ol
CID 10012031
(2S)-2-tert-butyloxane
CID 118633229
1-(methylamino)-2-(oxolan-2-yl)propan-2-ol
CID 131118863
(2R)-1-amino-2-cyclopentylpropan-2-ol
CID 94524784
(2S)-1-amino-2-cyclohexylpropan-2-ol
CID 93298138
2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol
CID 551403
1-(oxan-2-yl)-1-phenylethanol
CID 102596007
2-methyl-2-(oxan-2-yl)propane-1-sulfinamide
CID 165459159
1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol
CID 89068349
1-(1-chloroethoxy)-1-(oxan-2-yl)ethanol
CID 20523019
2-methyl-2-[(2R)-oxan-2-yl]propanenitrile
CID 124670962
O-[2-(oxolan-2-yl)propan-2-yl]hydroxylamine
CID 117104720

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(oxan-2-yl)propan-2-ol?
The IUPAC name of 1-amino-2-(oxan-2-yl)propan-2-ol (CID 139026645) is 1-amino-2-(oxan-2-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-(oxan-2-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-(oxan-2-yl)propan-2-ol is CC(O)(CN)C1CCCCO1.
What is the InChIKey of 1-amino-2-(oxan-2-yl)propan-2-ol?
The InChIKey is UXDQFMXPQCAQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(10,6-9)7-4-2-3-5-11-7/h7,10H,2-6,9H2,1H3.
What are the key properties of 1-amino-2-(oxan-2-yl)propan-2-ol?
1-amino-2-(oxan-2-yl)propan-2-ol has a molecular weight of 159.23 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(oxan-2-yl)propan-2-ol is sourced from PubChem (CID 139026645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).