2-(2,2-dimethylpropyl)-5-(3,3-dimethyl-4-pyridin-3-ylbutoxy)pyridine

C21H30N2O — CID 166969062

IUPAC2-(2,2-dimethylpropyl)-5-(3,3-dimethyl-4-pyridin-3-ylbutoxy)pyridine
SMILESCC(C)(C)Cc1ccc(OCCC(C)(C)Cc2cccnc2)cn1
InChIInChI=1S/C21H30N2O/c1-20(2,3)14-18-8-9-19(16-23-18)24-12-10-21(4,5)13-17-7-6-11-22-15-17/h6-9,11,15-16H,10,12-14H2,1-5H3
InChIKeyCVUDPLRPEAMHQF-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.10
Rot. Bonds7

About 2-(2,2-dimethylpropyl)-5-(3,3-dimethyl-4-pyridin-3-ylbutoxy)pyridine

2-(2,2-dimethylpropyl)-5-(3,3-dimethyl-4-pyridin-3-ylbutoxy)pyridine (PubChem CID 166969062) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-(3,3-dimethyl-4-pyridin-3-ylbutoxy)pyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-(3,3-dimethyl-4-pyridin-3-ylbutoxy)pyridine
PubChem CID166969062
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name2-(2,2-dimethylpropyl)-5-(3,3-dimethyl-4-pyridin-3-ylbutoxy)pyridine
SMILESCC(C)(C)Cc1ccc(OCCC(C)(C)Cc2cccnc2)cn1
InChIInChI=1S/C21H30N2O/c1-20(2,3)14-18-8-9-19(16-23-18)24-12-10-21(4,5)13-17-7-6-11-22-15-17/h6-9,11,15-16H,10,12-14H2,1-5H3
InChIKeyCVUDPLRPEAMHQF-UHFFFAOYSA-N
XLogP5.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
(2,2-dimethyl-4-phenoxybutyl)benzene
CID 145278687
3-(3-methoxy-3-methylbutoxy)pyridine
CID 103037636
[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methanol
CID 79800019
3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine
CID 104737370
N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79784006
N-[[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79775715
3-(3,3-dimethylbutoxymethyl)pyridine
CID 154991745
2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
2-bromo-5-(3,3-dimethylbutoxy)pyridine
CID 102670859
5-methoxy-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 106503992

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-(3,3-dimethyl-4-pyridin-3-ylbutoxy)pyridine?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-(3,3-dimethyl-4-pyridin-3-ylbutoxy)pyridine (CID 166969062) is 2-(2,2-dimethylpropyl)-5-(3,3-dimethyl-4-pyridin-3-ylbutoxy)pyridine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-(3,3-dimethyl-4-pyridin-3-ylbutoxy)pyridine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-(3,3-dimethyl-4-pyridin-3-ylbutoxy)pyridine is CC(C)(C)Cc1ccc(OCCC(C)(C)Cc2cccnc2)cn1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-(3,3-dimethyl-4-pyridin-3-ylbutoxy)pyridine?
The InChIKey is CVUDPLRPEAMHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-20(2,3)14-18-8-9-19(16-23-18)24-12-10-21(4,5)13-17-7-6-11-22-15-17/h6-9,11,15-16H,10,12-14H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5-(3,3-dimethyl-4-pyridin-3-ylbutoxy)pyridine?
2-(2,2-dimethylpropyl)-5-(3,3-dimethyl-4-pyridin-3-ylbutoxy)pyridine has a molecular weight of 326.48 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-(3,3-dimethyl-4-pyridin-3-ylbutoxy)pyridine is sourced from PubChem (CID 166969062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).