2-(2,2-dimethylpropoxymethyl)-5-(2,2-dimethylpropyl)pyridine

C16H27NO — CID 153306917

IUPAC2-(2,2-dimethylpropoxymethyl)-5-(2,2-dimethylpropyl)pyridine
SMILESCC(C)(C)COCc1ccc(CC(C)(C)C)cn1
InChIInChI=1S/C16H27NO/c1-15(2,3)9-13-7-8-14(17-10-13)11-18-12-16(4,5)6/h7-8,10H,9,11-12H2,1-6H3
InChIKeyHTPQYXRENPLXQM-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.23
Rot. Bonds4

About 2-(2,2-dimethylpropoxymethyl)-5-(2,2-dimethylpropyl)pyridine

2-(2,2-dimethylpropoxymethyl)-5-(2,2-dimethylpropyl)pyridine (PubChem CID 153306917) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxymethyl)-5-(2,2-dimethylpropyl)pyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxymethyl)-5-(2,2-dimethylpropyl)pyridine
PubChem CID153306917
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-(2,2-dimethylpropoxymethyl)-5-(2,2-dimethylpropyl)pyridine
SMILESCC(C)(C)COCc1ccc(CC(C)(C)C)cn1
InChIInChI=1S/C16H27NO/c1-15(2,3)9-13-7-8-14(17-10-13)11-18-12-16(4,5)6/h7-8,10H,9,11-12H2,1-6H3
InChIKeyHTPQYXRENPLXQM-UHFFFAOYSA-N
XLogP4.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethylpropoxy)-5-(2,2-dimethylpropyl)pyridine
CID 177282549
5-(2,2-dimethylpropyl)-2-(3-methylbutyl)pyridine
CID 146228113
1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine
CID 104799626
1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene
CID 21060134
[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methanamine
CID 82006174
N-[3-[6-(2,2-dimethylpropyl)-3-pyridinyl]propyl]-2-methylpropan-2-amine
CID 134488813
2-(2,2-dimethylpropoxymethyl)-1,3,5-triazine
CID 134581621
5-(2,2-dimethylpropoxymethyl)-2-(4-phenylbut-3-en-2-yl)pyridine
CID 175545857
5-(methoxymethoxy)-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]pyridine
CID 86709379
N-cyclopentyl-5-(2,2-dimethylpropyl)pyridin-2-amine
CID 129191461
N-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82006767
2-(2,2-dimethylpropyl)-5-(3,3-dimethyl-4-pyridin-3-ylbutoxy)pyridine
CID 166969062

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropoxymethyl)-5-(2,2-dimethylpropyl)pyridine?
The IUPAC name of 2-(2,2-dimethylpropoxymethyl)-5-(2,2-dimethylpropyl)pyridine (CID 153306917) is 2-(2,2-dimethylpropoxymethyl)-5-(2,2-dimethylpropyl)pyridine.
What is the SMILES notation for 2-(2,2-dimethylpropoxymethyl)-5-(2,2-dimethylpropyl)pyridine?
The canonical SMILES for 2-(2,2-dimethylpropoxymethyl)-5-(2,2-dimethylpropyl)pyridine is CC(C)(C)COCc1ccc(CC(C)(C)C)cn1.
What is the InChIKey of 2-(2,2-dimethylpropoxymethyl)-5-(2,2-dimethylpropyl)pyridine?
The InChIKey is HTPQYXRENPLXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-15(2,3)9-13-7-8-14(17-10-13)11-18-12-16(4,5)6/h7-8,10H,9,11-12H2,1-6H3.
What are the key properties of 2-(2,2-dimethylpropoxymethyl)-5-(2,2-dimethylpropyl)pyridine?
2-(2,2-dimethylpropoxymethyl)-5-(2,2-dimethylpropyl)pyridine has a molecular weight of 249.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxymethyl)-5-(2,2-dimethylpropyl)pyridine is sourced from PubChem (CID 153306917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).