3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol

C14H24N2O — CID 66454768

IUPAC3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
SMILESCC(O)C(C)(C)CN(C)CCc1ccccn1
InChIInChI=1S/C14H24N2O/c1-12(17)14(2,3)11-16(4)10-8-13-7-5-6-9-15-13/h5-7,9,12,17H,8,10-11H2,1-4H3
InChIKeyNHSMMEJJHABGAY-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.96
Rot. Bonds6

About 3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol

3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol (PubChem CID 66454768) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
PubChem CID66454768
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
SMILESCC(O)C(C)(C)CN(C)CCc1ccccn1
InChIInChI=1S/C14H24N2O/c1-12(17)14(2,3)11-16(4)10-8-13-7-5-6-9-15-13/h5-7,9,12,17H,8,10-11H2,1-4H3
InChIKeyNHSMMEJJHABGAY-UHFFFAOYSA-N
XLogP1.96
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
CID 114228723
2-ethyl-N',2-dimethyl-N-(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62261959
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 62042147
2-ethyl-N,N',2-trimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 55051379
1-(3,5-dimethylphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanol
CID 79037353
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
1-(methylamino)-3-[methyl(2-pyridin-2-ylethyl)amino]propan-2-ol
CID 43187938
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62261769
(E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine
CID 757307

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol?
The IUPAC name of 3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol (CID 66454768) is 3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol?
The canonical SMILES for 3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol is CC(O)C(C)(C)CN(C)CCc1ccccn1.
What is the InChIKey of 3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol?
The InChIKey is NHSMMEJJHABGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12(17)14(2,3)11-16(4)10-8-13-7-5-6-9-15-13/h5-7,9,12,17H,8,10-11H2,1-4H3.
What are the key properties of 3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol?
3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol has a molecular weight of 236.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol is sourced from PubChem (CID 66454768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).