2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol

C12H20N2O — CID 79360655

IUPAC2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol
SMILESCN(CCC(C)(C)O)Cc1ccccn1
InChIInChI=1S/C12H20N2O/c1-12(2,15)7-9-14(3)10-11-6-4-5-8-13-11/h4-6,8,15H,7,9-10H2,1-3H3
InChIKeyIWYUJBOCYRLZJQ-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.67
Rot. Bonds5

About 2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol

2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol (PubChem CID 79360655) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol
PubChem CID79360655
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol
SMILESCN(CCC(C)(C)O)Cc1ccccn1
InChIInChI=1S/C12H20N2O/c1-12(2,15)7-9-14(3)10-11-6-4-5-8-13-11/h4-6,8,15H,7,9-10H2,1-3H3
InChIKeyIWYUJBOCYRLZJQ-UHFFFAOYSA-N
XLogP1.67
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 66453800
2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol
CID 91261751
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)pentane-1,5-diamine
CID 65254292
2-methyl-4-pyridin-2-ylbutan-2-ol
CID 145217393
1-N,2-N,2-trimethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 62846215
N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 59334325
2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid
CID 62270659
N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62256476
2-hydroxy-N,2-dimethyl-N-(pyridin-2-ylmethyl)propanamide
CID 104936654
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol?
The IUPAC name of 2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol (CID 79360655) is 2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol is CN(CCC(C)(C)O)Cc1ccccn1.
What is the InChIKey of 2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol?
The InChIKey is IWYUJBOCYRLZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2,15)7-9-14(3)10-11-6-4-5-8-13-11/h4-6,8,15H,7,9-10H2,1-3H3.
What are the key properties of 2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol?
2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol has a molecular weight of 208.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol is sourced from PubChem (CID 79360655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).