1-amino-2-(oxan-4-yl)propan-1-ol

C8H17NO2 — CID 88974259

IUPAC1-amino-2-(oxan-4-yl)propan-1-ol
SMILESCC(C(N)O)C1CCOCC1
InChIInChI=1S/C8H17NO2/c1-6(8(9)10)7-2-4-11-5-3-7/h6-8,10H,2-5,9H2,1H3
InChIKeyAOXBASKEJPKVTM-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.33
Rot. Bonds2

About 1-amino-2-(oxan-4-yl)propan-1-ol

1-amino-2-(oxan-4-yl)propan-1-ol (PubChem CID 88974259) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-amino-2-(oxan-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-amino-2-(oxan-4-yl)propan-1-ol
PubChem CID88974259
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-amino-2-(oxan-4-yl)propan-1-ol
SMILESCC(C(N)O)C1CCOCC1
InChIInChI=1S/C8H17NO2/c1-6(8(9)10)7-2-4-11-5-3-7/h6-8,10H,2-5,9H2,1H3
InChIKeyAOXBASKEJPKVTM-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

cyclopropyl(oxan-4-yl)methanol
CID 63936668
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
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CID 95396571
3-methyl-1-(oxan-4-yl)butan-1-amine
CID 63935057
dimethylamino(oxan-4-yl)methanol
CID 116909646
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
1-(oxan-4-yl)propan-2-amine
CID 21054632
2-amino-3-(oxolan-3-yl)butanoic acid
CID 164654372
(2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide
CID 103797658
2-methyl-1-(oxan-4-yl)prop-2-en-1-ol
CID 79189800
2-methyl-1-(oxan-4-yl)propane-1,2-diamine
CID 116932713
ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate
CID 66206954

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(oxan-4-yl)propan-1-ol?
The IUPAC name of 1-amino-2-(oxan-4-yl)propan-1-ol (CID 88974259) is 1-amino-2-(oxan-4-yl)propan-1-ol.
What is the SMILES notation for 1-amino-2-(oxan-4-yl)propan-1-ol?
The canonical SMILES for 1-amino-2-(oxan-4-yl)propan-1-ol is CC(C(N)O)C1CCOCC1.
What is the InChIKey of 1-amino-2-(oxan-4-yl)propan-1-ol?
The InChIKey is AOXBASKEJPKVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(8(9)10)7-2-4-11-5-3-7/h6-8,10H,2-5,9H2,1H3.
What are the key properties of 1-amino-2-(oxan-4-yl)propan-1-ol?
1-amino-2-(oxan-4-yl)propan-1-ol has a molecular weight of 159.23 g/mol, XLogP of 0.33, 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-4-yl)propan-1-ol is sourced from PubChem (CID 88974259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).