4-amino-3-(oxan-4-yl)butan-1-ol

C9H19NO2 — CID 66091202

IUPAC4-amino-3-(oxan-4-yl)butan-1-ol
SMILESNCC(CCO)C1CCOCC1
InChIInChI=1S/C9H19NO2/c10-7-9(1-4-11)8-2-5-12-6-3-8/h8-9,11H,1-7,10H2
InChIKeySJRAYQRXCLQMMR-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.37
Rot. Bonds4

About 4-amino-3-(oxan-4-yl)butan-1-ol

4-amino-3-(oxan-4-yl)butan-1-ol (PubChem CID 66091202) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-amino-3-(oxan-4-yl)butan-1-ol.

Molecular Properties

Compound Name4-amino-3-(oxan-4-yl)butan-1-ol
PubChem CID66091202
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-amino-3-(oxan-4-yl)butan-1-ol
SMILESNCC(CCO)C1CCOCC1
InChIInChI=1S/C9H19NO2/c10-7-9(1-4-11)8-2-5-12-6-3-8/h8-9,11H,1-7,10H2
InChIKeySJRAYQRXCLQMMR-UHFFFAOYSA-N
XLogP0.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(oxan-4-yl)butan-1-ol?
The IUPAC name of 4-amino-3-(oxan-4-yl)butan-1-ol (CID 66091202) is 4-amino-3-(oxan-4-yl)butan-1-ol.
What is the SMILES notation for 4-amino-3-(oxan-4-yl)butan-1-ol?
The canonical SMILES for 4-amino-3-(oxan-4-yl)butan-1-ol is NCC(CCO)C1CCOCC1.
What is the InChIKey of 4-amino-3-(oxan-4-yl)butan-1-ol?
The InChIKey is SJRAYQRXCLQMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c10-7-9(1-4-11)8-2-5-12-6-3-8/h8-9,11H,1-7,10H2.
What are the key properties of 4-amino-3-(oxan-4-yl)butan-1-ol?
4-amino-3-(oxan-4-yl)butan-1-ol has a molecular weight of 173.26 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(oxan-4-yl)butan-1-ol is sourced from PubChem (CID 66091202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).