2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol

C11H19N3O2 — CID 19831980

IUPAC2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC(O)c1ccc(N)nc1
InChIInChI=1S/C11H19N3O2/c1-11(2,7-15)14-6-9(16)8-3-4-10(12)13-5-8/h3-5,9,14-16H,6-7H2,1-2H3,(H2,12,13)
InChIKeyQWRQXKXMWORYPJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.06
Rot. Bonds5

About 2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol

2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol (PubChem CID 19831980) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
PubChem CID19831980
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC(O)c1ccc(N)nc1
InChIInChI=1S/C11H19N3O2/c1-11(2,7-15)14-6-9(16)8-3-4-10(12)13-5-8/h3-5,9,14-16H,6-7H2,1-2H3,(H2,12,13)
InChIKeyQWRQXKXMWORYPJ-UHFFFAOYSA-N
XLogP0.06
TPSA91.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol (CID 19831980) is 2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol is CC(C)(CO)NCC(O)c1ccc(N)nc1.
What is the InChIKey of 2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol?
The InChIKey is QWRQXKXMWORYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,7-15)14-6-9(16)8-3-4-10(12)13-5-8/h3-5,9,14-16H,6-7H2,1-2H3,(H2,12,13).
What are the key properties of 2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol?
2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 0.06, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 19831980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).