1-(6-amino-3-pyridinyl)-2-(2-methoxybutylamino)ethanol;dihydrochloride

C12H23Cl2N3O2 — CID 19832000

IUPAC1-(6-amino-3-pyridinyl)-2-(2-methoxybutylamino)ethanol;dihydrochloride
SMILESCCC(CNCC(O)c1ccc(N)nc1)OC.Cl.Cl
InChIInChI=1S/C12H21N3O2.2ClH/c1-3-10(17-2)7-14-8-11(16)9-4-5-12(13)15-6-9;;/h4-6,10-11,14,16H,3,7-8H2,1-2H3,(H2,13,15);2*1H
InChIKeyNKJOKQJAAFASFJ-UHFFFAOYSA-N
MW312.24 g/mol
LogP1.56
Rot. Bonds7

About 1-(6-amino-3-pyridinyl)-2-(2-methoxybutylamino)ethanol;dihydrochloride

1-(6-amino-3-pyridinyl)-2-(2-methoxybutylamino)ethanol;dihydrochloride (PubChem CID 19832000) has the molecular formula C12H23Cl2N3O2 and a molecular weight of 312.24 g/mol. Its IUPAC name is 1-(6-amino-3-pyridinyl)-2-(2-methoxybutylamino)ethanol;dihydrochloride.

Molecular Properties

Compound Name1-(6-amino-3-pyridinyl)-2-(2-methoxybutylamino)ethanol;dihydrochloride
PubChem CID19832000
Molecular FormulaC12H23Cl2N3O2
Molecular Weight312.24 g/mol
Exact Mass311.12
IUPAC Name1-(6-amino-3-pyridinyl)-2-(2-methoxybutylamino)ethanol;dihydrochloride
SMILESCCC(CNCC(O)c1ccc(N)nc1)OC.Cl.Cl
InChIInChI=1S/C12H21N3O2.2ClH/c1-3-10(17-2)7-14-8-11(16)9-4-5-12(13)15-6-9;;/h4-6,10-11,14,16H,3,7-8H2,1-2H3,(H2,13,15);2*1H
InChIKeyNKJOKQJAAFASFJ-UHFFFAOYSA-N
XLogP1.56
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-pyridinyl)-2-(2-methoxybutylamino)ethanol;dihydrochloride?
The IUPAC name of 1-(6-amino-3-pyridinyl)-2-(2-methoxybutylamino)ethanol;dihydrochloride (CID 19832000) is 1-(6-amino-3-pyridinyl)-2-(2-methoxybutylamino)ethanol;dihydrochloride.
What is the SMILES notation for 1-(6-amino-3-pyridinyl)-2-(2-methoxybutylamino)ethanol;dihydrochloride?
The canonical SMILES for 1-(6-amino-3-pyridinyl)-2-(2-methoxybutylamino)ethanol;dihydrochloride is CCC(CNCC(O)c1ccc(N)nc1)OC.Cl.Cl.
What is the InChIKey of 1-(6-amino-3-pyridinyl)-2-(2-methoxybutylamino)ethanol;dihydrochloride?
The InChIKey is NKJOKQJAAFASFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2.2ClH/c1-3-10(17-2)7-14-8-11(16)9-4-5-12(13)15-6-9;;/h4-6,10-11,14,16H,3,7-8H2,1-2H3,(H2,13,15);2*1H.
What are the key properties of 1-(6-amino-3-pyridinyl)-2-(2-methoxybutylamino)ethanol;dihydrochloride?
1-(6-amino-3-pyridinyl)-2-(2-methoxybutylamino)ethanol;dihydrochloride has a molecular weight of 312.24 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3-pyridinyl)-2-(2-methoxybutylamino)ethanol;dihydrochloride is sourced from PubChem (CID 19832000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).