5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol

C11H18N2O2 — CID 114939064

IUPAC5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol
SMILESCOc1ccc(C(CN)CC(C)O)cn1
InChIInChI=1S/C11H18N2O2/c1-8(14)5-10(6-12)9-3-4-11(15-2)13-7-9/h3-4,7-8,10,14H,5-6,12H2,1-2H3
InChIKeyXHKRZGLBXBMUOL-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.90
Rot. Bonds5

About 5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol

5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol (PubChem CID 114939064) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol.

Molecular Properties

Compound Name5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol
PubChem CID114939064
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol
SMILESCOc1ccc(C(CN)CC(C)O)cn1
InChIInChI=1S/C11H18N2O2/c1-8(14)5-10(6-12)9-3-4-11(15-2)13-7-9/h3-4,7-8,10,14H,5-6,12H2,1-2H3
InChIKeyXHKRZGLBXBMUOL-UHFFFAOYSA-N
XLogP0.90
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol?
The IUPAC name of 5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol (CID 114939064) is 5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol.
What is the SMILES notation for 5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol?
The canonical SMILES for 5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol is COc1ccc(C(CN)CC(C)O)cn1.
What is the InChIKey of 5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol?
The InChIKey is XHKRZGLBXBMUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(14)5-10(6-12)9-3-4-11(15-2)13-7-9/h3-4,7-8,10,14H,5-6,12H2,1-2H3.
What are the key properties of 5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol?
5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol has a molecular weight of 210.28 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol is sourced from PubChem (CID 114939064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).