3-(diethylamino)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylbutan-2-ol

C17H30N2O2 — CID 79047638

IUPAC3-(diethylamino)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylbutan-2-ol
SMILESCCN(CC)C(C)(C)C(O)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C17H30N2O2/c1-8-19(9-2)17(5,6)15(20)10-14-13(4)16(21-7)12(3)11-18-14/h11,15,20H,8-10H2,1-7H3
InChIKeyXZQYVOQVGLYCSH-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.73
Rot. Bonds7

About 3-(diethylamino)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylbutan-2-ol

3-(diethylamino)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylbutan-2-ol (PubChem CID 79047638) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-(diethylamino)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-(diethylamino)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylbutan-2-ol
PubChem CID79047638
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-(diethylamino)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylbutan-2-ol
SMILESCCN(CC)C(C)(C)C(O)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C17H30N2O2/c1-8-19(9-2)17(5,6)15(20)10-14-13(4)16(21-7)12(3)11-18-14/h11,15,20H,8-10H2,1-7H3
InChIKeyXZQYVOQVGLYCSH-UHFFFAOYSA-N
XLogP2.73
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,5,5-trimethylhexan-2-ol
CID 115788139
2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine
CID 79447743
3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine
CID 79058596
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,3,3-trimethylpentan-2-amine
CID 115843940
5-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-ol
CID 105088777
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,3-dimethylbutan-1-amine
CID 83139283
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]propane-1,2-diol
CID 79682772
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol
CID 116660006
1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol
CID 103457017

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylbutan-2-ol?
The IUPAC name of 3-(diethylamino)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylbutan-2-ol (CID 79047638) is 3-(diethylamino)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylbutan-2-ol.
What is the SMILES notation for 3-(diethylamino)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylbutan-2-ol?
The canonical SMILES for 3-(diethylamino)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylbutan-2-ol is CCN(CC)C(C)(C)C(O)Cc1ncc(C)c(OC)c1C.
What is the InChIKey of 3-(diethylamino)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylbutan-2-ol?
The InChIKey is XZQYVOQVGLYCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-8-19(9-2)17(5,6)15(20)10-14-13(4)16(21-7)12(3)11-18-14/h11,15,20H,8-10H2,1-7H3.
What are the key properties of 3-(diethylamino)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylbutan-2-ol?
3-(diethylamino)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylbutan-2-ol has a molecular weight of 294.44 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylbutan-2-ol is sourced from PubChem (CID 79047638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).