3-(diethylamino)-3-methyl-1-pyridin-3-ylbutan-2-ol

C14H24N2O — CID 113446917

IUPAC3-(diethylamino)-3-methyl-1-pyridin-3-ylbutan-2-ol
SMILESCCN(CC)C(C)(C)C(O)Cc1cccnc1
InChIInChI=1S/C14H24N2O/c1-5-16(6-2)14(3,4)13(17)10-12-8-7-9-15-11-12/h7-9,11,13,17H,5-6,10H2,1-4H3
InChIKeyNIFNYOZRKAWSTJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.11
Rot. Bonds6

About 3-(diethylamino)-3-methyl-1-pyridin-3-ylbutan-2-ol

3-(diethylamino)-3-methyl-1-pyridin-3-ylbutan-2-ol (PubChem CID 113446917) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(diethylamino)-3-methyl-1-pyridin-3-ylbutan-2-ol.

Molecular Properties

Compound Name3-(diethylamino)-3-methyl-1-pyridin-3-ylbutan-2-ol
PubChem CID113446917
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-(diethylamino)-3-methyl-1-pyridin-3-ylbutan-2-ol
SMILESCCN(CC)C(C)(C)C(O)Cc1cccnc1
InChIInChI=1S/C14H24N2O/c1-5-16(6-2)14(3,4)13(17)10-12-8-7-9-15-11-12/h7-9,11,13,17H,5-6,10H2,1-4H3
InChIKeyNIFNYOZRKAWSTJ-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol
CID 104736155
1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol
CID 104736200
3-(diethylamino)-1-(4-iodophenyl)-3-methylbutan-2-ol
CID 79052754
3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol
CID 104736143
1-pyridin-3-ylpentan-2-ol
CID 62553061
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
1-(dimethylamino)-3-pyridin-3-ylpropan-2-ol
CID 104736153
3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide
CID 143418820
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol
CID 104735761
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-methyl-1-pyridin-3-ylbutan-2-ol?
The IUPAC name of 3-(diethylamino)-3-methyl-1-pyridin-3-ylbutan-2-ol (CID 113446917) is 3-(diethylamino)-3-methyl-1-pyridin-3-ylbutan-2-ol.
What is the SMILES notation for 3-(diethylamino)-3-methyl-1-pyridin-3-ylbutan-2-ol?
The canonical SMILES for 3-(diethylamino)-3-methyl-1-pyridin-3-ylbutan-2-ol is CCN(CC)C(C)(C)C(O)Cc1cccnc1.
What is the InChIKey of 3-(diethylamino)-3-methyl-1-pyridin-3-ylbutan-2-ol?
The InChIKey is NIFNYOZRKAWSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-16(6-2)14(3,4)13(17)10-12-8-7-9-15-11-12/h7-9,11,13,17H,5-6,10H2,1-4H3.
What are the key properties of 3-(diethylamino)-3-methyl-1-pyridin-3-ylbutan-2-ol?
3-(diethylamino)-3-methyl-1-pyridin-3-ylbutan-2-ol has a molecular weight of 236.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-methyl-1-pyridin-3-ylbutan-2-ol is sourced from PubChem (CID 113446917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).