4-amino-3-(5-methylfuran-2-yl)hexan-1-ol

C11H19NO2 — CID 66091484

IUPAC4-amino-3-(5-methylfuran-2-yl)hexan-1-ol
SMILESCCC(N)C(CCO)c1ccc(C)o1
InChIInChI=1S/C11H19NO2/c1-3-10(12)9(6-7-13)11-5-4-8(2)14-11/h4-5,9-10,13H,3,6-7,12H2,1-2H3
InChIKeyDIHKEUASYMBUTI-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.79
Rot. Bonds5

About 4-amino-3-(5-methylfuran-2-yl)hexan-1-ol

4-amino-3-(5-methylfuran-2-yl)hexan-1-ol (PubChem CID 66091484) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-amino-3-(5-methylfuran-2-yl)hexan-1-ol.

Molecular Properties

Compound Name4-amino-3-(5-methylfuran-2-yl)hexan-1-ol
PubChem CID66091484
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-amino-3-(5-methylfuran-2-yl)hexan-1-ol
SMILESCCC(N)C(CCO)c1ccc(C)o1
InChIInChI=1S/C11H19NO2/c1-3-10(12)9(6-7-13)11-5-4-8(2)14-11/h4-5,9-10,13H,3,6-7,12H2,1-2H3
InChIKeyDIHKEUASYMBUTI-UHFFFAOYSA-N
XLogP1.79
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(1-benzofuran-2-yl)hexan-1-ol
CID 66090326
4-amino-3-(4-propan-2-ylphenyl)hexan-1-ol
CID 66090556
ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
4-amino-3-(3-methylphenyl)hexan-1-ol
CID 66091951
(2S)-2-(5-methylfuran-2-yl)butan-1-ol
CID 58330576
2-[1-[2-amino-1-(5-methylfuran-2-yl)butyl]pyrrolidin-3-yl]ethanol
CID 114797027
1-(5-methylfuran-2-yl)propan-1-ol
CID 14570731
1-(5-methylfuran-2-yl)-1-pentan-2-yloxybutan-2-amine
CID 102980652
1-(5-methylfuran-2-yl)butane-1,4-diol
CID 116861366
2-amino-3-(dimethylamino)-3-(5-methylfuran-2-yl)propan-1-ol
CID 116911635
2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol
CID 116957574
(3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
CID 103871755

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-methylfuran-2-yl)hexan-1-ol?
The IUPAC name of 4-amino-3-(5-methylfuran-2-yl)hexan-1-ol (CID 66091484) is 4-amino-3-(5-methylfuran-2-yl)hexan-1-ol.
What is the SMILES notation for 4-amino-3-(5-methylfuran-2-yl)hexan-1-ol?
The canonical SMILES for 4-amino-3-(5-methylfuran-2-yl)hexan-1-ol is CCC(N)C(CCO)c1ccc(C)o1.
What is the InChIKey of 4-amino-3-(5-methylfuran-2-yl)hexan-1-ol?
The InChIKey is DIHKEUASYMBUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-10(12)9(6-7-13)11-5-4-8(2)14-11/h4-5,9-10,13H,3,6-7,12H2,1-2H3.
What are the key properties of 4-amino-3-(5-methylfuran-2-yl)hexan-1-ol?
4-amino-3-(5-methylfuran-2-yl)hexan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-methylfuran-2-yl)hexan-1-ol is sourced from PubChem (CID 66091484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).