2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol

C14H24N2O — CID 81419845

IUPAC2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCc1ncccc1C
InChIInChI=1S/C14H24N2O/c1-4-14(5-2,11-17)10-15-9-13-12(3)7-6-8-16-13/h6-8,15,17H,4-5,9-11H2,1-3H3
InChIKeyJIYZUAJRGBQHLW-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.28
Rot. Bonds7

About 2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol

2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol (PubChem CID 81419845) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol
PubChem CID81419845
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCc1ncccc1C
InChIInChI=1S/C14H24N2O/c1-4-14(5-2,11-17)10-15-9-13-12(3)7-6-8-16-13/h6-8,15,17H,4-5,9-11H2,1-3H3
InChIKeyJIYZUAJRGBQHLW-UHFFFAOYSA-N
XLogP2.28
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol (CID 81419845) is 2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol is CCC(CC)(CO)CNCc1ncccc1C.
What is the InChIKey of 2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol?
The InChIKey is JIYZUAJRGBQHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-14(5-2,11-17)10-15-9-13-12(3)7-6-8-16-13/h6-8,15,17H,4-5,9-11H2,1-3H3.
What are the key properties of 2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol?
2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol is sourced from PubChem (CID 81419845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).