4-[1-(oxan-4-yl)ethylamino]butan-2-ol

C11H23NO2 — CID 115720280

IUPAC4-[1-(oxan-4-yl)ethylamino]butan-2-ol
SMILESCC(O)CCNC(C)C1CCOCC1
InChIInChI=1S/C11H23NO2/c1-9(13)3-6-12-10(2)11-4-7-14-8-5-11/h9-13H,3-8H2,1-2H3
InChIKeyIRHPVBOKFDNRPU-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.16
Rot. Bonds5

About 4-[1-(oxan-4-yl)ethylamino]butan-2-ol

4-[1-(oxan-4-yl)ethylamino]butan-2-ol (PubChem CID 115720280) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-[1-(oxan-4-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name4-[1-(oxan-4-yl)ethylamino]butan-2-ol
PubChem CID115720280
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-[1-(oxan-4-yl)ethylamino]butan-2-ol
SMILESCC(O)CCNC(C)C1CCOCC1
InChIInChI=1S/C11H23NO2/c1-9(13)3-6-12-10(2)11-4-7-14-8-5-11/h9-13H,3-8H2,1-2H3
InChIKeyIRHPVBOKFDNRPU-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-cyclopropylethylamino)butan-2-ol
CID 64911110
4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol
CID 115723515
4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol
CID 64913210
N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine
CID 115706242
N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine
CID 115893382
N-(2-cyclohexylethyl)-1-(oxan-4-yl)ethanamine
CID 113260043
1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol
CID 103906098
N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine
CID 103902201
N-[(2-methylcyclopropyl)methyl]-1-(oxan-4-yl)ethanamine
CID 115713106
N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914800
1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 103271280
3-ethylsulfonyl-N-[1-(oxan-4-yl)ethyl]propan-1-amine
CID 103914759

Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxan-4-yl)ethylamino]butan-2-ol?
The IUPAC name of 4-[1-(oxan-4-yl)ethylamino]butan-2-ol (CID 115720280) is 4-[1-(oxan-4-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 4-[1-(oxan-4-yl)ethylamino]butan-2-ol?
The canonical SMILES for 4-[1-(oxan-4-yl)ethylamino]butan-2-ol is CC(O)CCNC(C)C1CCOCC1.
What is the InChIKey of 4-[1-(oxan-4-yl)ethylamino]butan-2-ol?
The InChIKey is IRHPVBOKFDNRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(13)3-6-12-10(2)11-4-7-14-8-5-11/h9-13H,3-8H2,1-2H3.
What are the key properties of 4-[1-(oxan-4-yl)ethylamino]butan-2-ol?
4-[1-(oxan-4-yl)ethylamino]butan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxan-4-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 115720280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).