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

C12H20N2O — CID 111440131

IUPAC2-methyl-2-[(2-methyl-3-pyridinyl)methylamino]butan-1-ol
SMILESCCC(C)(CO)NCc1cccnc1C
InChIInChI=1S/C12H20N2O/c1-4-12(3,9-15)14-8-11-6-5-7-13-10(11)2/h5-7,14-15H,4,8-9H2,1-3H3
InChIKeyOLHJISKZGBRVAP-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.64
Rot. Bonds5

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

2-methyl-2-[(2-methyl-3-pyridinyl)methylamino]butan-1-ol (PubChem CID 111440131) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-3-pyridinyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-3-pyridinyl)methylamino]butan-1-ol
PubChem CID111440131
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-methyl-2-[(2-methyl-3-pyridinyl)methylamino]butan-1-ol
SMILESCCC(C)(CO)NCc1cccnc1C
InChIInChI=1S/C12H20N2O/c1-4-12(3,9-15)14-8-11-6-5-7-13-10(11)2/h5-7,14-15H,4,8-9H2,1-3H3
InChIKeyOLHJISKZGBRVAP-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Pyridinepropanol
CID 72923
5-Ethyl-2-pyridineethanol
CID 78894
2-(2-Methylpyridin-3-yl)ethan-1-ol
CID 268518
Ethanol, 2-((2-pyridinylmethyl)amino)-
CID 81135
Methyl[1-(pyridin-3-yl)ethyl]amine
CID 16778481
n-Benzyl-2-(pyridin-2-yl)ethanamine
CID 238354
Nsc65650
CID 248485
3-(((Pyridin-4-yl)methyl)amino)propan-1-ol
CID 248486
2-(3-Methylpyridin-2-yl)ethan-1-ol
CID 14546493
3-((3-Pyridylmethyl)amino)propanol
CID 81390
2-[(Pyridin-3-ylmethyl)-amino]-ethanol
CID 3127274
N-(2-(6-methylpyridin-3-yl)ethyl)aniline
CID 687028

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-3-pyridinyl)methylamino]butan-1-ol?
The IUPAC name of 2-methyl-2-[(2-methyl-3-pyridinyl)methylamino]butan-1-ol (CID 111440131) is 2-methyl-2-[(2-methyl-3-pyridinyl)methylamino]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(2-methyl-3-pyridinyl)methylamino]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(2-methyl-3-pyridinyl)methylamino]butan-1-ol is CCC(C)(CO)NCc1cccnc1C.
What is the InChIKey of 2-methyl-2-[(2-methyl-3-pyridinyl)methylamino]butan-1-ol?
The InChIKey is OLHJISKZGBRVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-12(3,9-15)14-8-11-6-5-7-13-10(11)2/h5-7,14-15H,4,8-9H2,1-3H3.
What are the key properties of 2-methyl-2-[(2-methyl-3-pyridinyl)methylamino]butan-1-ol?
2-methyl-2-[(2-methyl-3-pyridinyl)methylamino]butan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-3-pyridinyl)methylamino]butan-1-ol is sourced from PubChem (CID 111440131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).