2-amino-1-(oxan-3-yl)butan-1-ol

C9H19NO2 — CID 63737699

IUPAC2-amino-1-(oxan-3-yl)butan-1-ol
SMILESCCC(N)C(O)C1CCCOC1
InChIInChI=1S/C9H19NO2/c1-2-8(10)9(11)7-4-3-5-12-6-7/h7-9,11H,2-6,10H2,1H3
InChIKeyTYGXFUWVEKSFGV-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.51
Rot. Bonds3

About 2-amino-1-(oxan-3-yl)butan-1-ol

2-amino-1-(oxan-3-yl)butan-1-ol (PubChem CID 63737699) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-amino-1-(oxan-3-yl)butan-1-ol.

Molecular Properties

Compound Name2-amino-1-(oxan-3-yl)butan-1-ol
PubChem CID63737699
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-amino-1-(oxan-3-yl)butan-1-ol
SMILESCCC(N)C(O)C1CCCOC1
InChIInChI=1S/C9H19NO2/c1-2-8(10)9(11)7-4-3-5-12-6-7/h7-9,11H,2-6,10H2,1H3
InChIKeyTYGXFUWVEKSFGV-UHFFFAOYSA-N
XLogP0.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720
3-(oxan-3-yl)pentan-2-ol
CID 107137335
3-pentan-3-yloxane
CID 15620798
2-[hydroxy(oxan-3-yl)methyl]butanoic acid
CID 63740789
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
bis(oxan-3-yl)methanamine
CID 107136437
CID 59269410
CID 59269410
2-(dimethylamino)-1-(oxan-3-yl)ethanol
CID 107136154
ethyl (2S)-2-amino-2-[(3R)-oxan-3-yl]acetate
CID 96668920
ethyl (2R)-2-amino-2-[(3S)-oxan-3-yl]acetate
CID 96668917
3-methyl-1-(oxan-3-yl)butan-1-amine
CID 65331695
2-(oxan-3-yl)butanoic acid
CID 82411862

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(oxan-3-yl)butan-1-ol?
The IUPAC name of 2-amino-1-(oxan-3-yl)butan-1-ol (CID 63737699) is 2-amino-1-(oxan-3-yl)butan-1-ol.
What is the SMILES notation for 2-amino-1-(oxan-3-yl)butan-1-ol?
The canonical SMILES for 2-amino-1-(oxan-3-yl)butan-1-ol is CCC(N)C(O)C1CCCOC1.
What is the InChIKey of 2-amino-1-(oxan-3-yl)butan-1-ol?
The InChIKey is TYGXFUWVEKSFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-8(10)9(11)7-4-3-5-12-6-7/h7-9,11H,2-6,10H2,1H3.
What are the key properties of 2-amino-1-(oxan-3-yl)butan-1-ol?
2-amino-1-(oxan-3-yl)butan-1-ol has a molecular weight of 173.26 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(oxan-3-yl)butan-1-ol is sourced from PubChem (CID 63737699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).