2-ethyl-2-[(6-methyl-2-pyridinyl)amino]butan-1-ol

C12H20N2O — CID 62517992

IUPAC2-ethyl-2-[(6-methyl-2-pyridinyl)amino]butan-1-ol
SMILESCCC(CC)(CO)Nc1cccc(C)n1
InChIInChI=1S/C12H20N2O/c1-4-12(5-2,9-15)14-11-8-6-7-10(3)13-11/h6-8,15H,4-5,9H2,1-3H3,(H,13,14)
InChIKeyNKVWAOGLJFLHRQ-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.35
Rot. Bonds5

About 2-ethyl-2-[(6-methyl-2-pyridinyl)amino]butan-1-ol

2-ethyl-2-[(6-methyl-2-pyridinyl)amino]butan-1-ol (PubChem CID 62517992) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-ethyl-2-[(6-methyl-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(6-methyl-2-pyridinyl)amino]butan-1-ol
PubChem CID62517992
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-ethyl-2-[(6-methyl-2-pyridinyl)amino]butan-1-ol
SMILESCCC(CC)(CO)Nc1cccc(C)n1
InChIInChI=1S/C12H20N2O/c1-4-12(5-2,9-15)14-11-8-6-7-10(3)13-11/h6-8,15H,4-5,9H2,1-3H3,(H,13,14)
InChIKeyNKVWAOGLJFLHRQ-UHFFFAOYSA-N
XLogP2.35
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(6-methyl-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(6-methyl-2-pyridinyl)amino]butan-1-ol (CID 62517992) is 2-ethyl-2-[(6-methyl-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(6-methyl-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(6-methyl-2-pyridinyl)amino]butan-1-ol is CCC(CC)(CO)Nc1cccc(C)n1.
What is the InChIKey of 2-ethyl-2-[(6-methyl-2-pyridinyl)amino]butan-1-ol?
The InChIKey is NKVWAOGLJFLHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-12(5-2,9-15)14-11-8-6-7-10(3)13-11/h6-8,15H,4-5,9H2,1-3H3,(H,13,14).
What are the key properties of 2-ethyl-2-[(6-methyl-2-pyridinyl)amino]butan-1-ol?
2-ethyl-2-[(6-methyl-2-pyridinyl)amino]butan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(6-methyl-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 62517992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).