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

C11H19N3O — CID 81131762

IUPAC1-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
SMILESCc1ccc(N)c(N(C)CC(C)(C)O)n1
InChIInChI=1S/C11H19N3O/c1-8-5-6-9(12)10(13-8)14(4)7-11(2,3)15/h5-6,15H,7,12H2,1-4H3
InChIKeyMLECJOKTLUDZNC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.18
Rot. Bonds3

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

1-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-2-methylpropan-2-ol (PubChem CID 81131762) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
PubChem CID81131762
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
SMILESCc1ccc(N)c(N(C)CC(C)(C)O)n1
InChIInChI=1S/C11H19N3O/c1-8-5-6-9(12)10(13-8)14(4)7-11(2,3)15/h5-6,15H,7,12H2,1-4H3
InChIKeyMLECJOKTLUDZNC-UHFFFAOYSA-N
XLogP1.18
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-2-methylpropan-2-ol (CID 81131762) is 1-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-2-methylpropan-2-ol is Cc1ccc(N)c(N(C)CC(C)(C)O)n1.
What is the InChIKey of 1-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is MLECJOKTLUDZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-5-6-9(12)10(13-8)14(4)7-11(2,3)15/h5-6,15H,7,12H2,1-4H3.
What are the key properties of 1-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-2-methylpropan-2-ol?
1-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 81131762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).