ethane;2-methyl-5-(propan-2-yloxymethyl)pyridine

C12H21NO — CID 171518990

IUPACethane;2-methyl-5-(propan-2-yloxymethyl)pyridine
SMILESCC.Cc1ccc(COC(C)C)cn1
InChIInChI=1S/C10H15NO.C2H6/c1-8(2)12-7-10-5-4-9(3)11-6-10;1-2/h4-6,8H,7H2,1-3H3;1-2H3
InChIKeyXQTOTEAPFBGAHW-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.34
Rot. Bonds3

About ethane;2-methyl-5-(propan-2-yloxymethyl)pyridine

ethane;2-methyl-5-(propan-2-yloxymethyl)pyridine (PubChem CID 171518990) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is ethane;2-methyl-5-(propan-2-yloxymethyl)pyridine.

Molecular Properties

Compound Nameethane;2-methyl-5-(propan-2-yloxymethyl)pyridine
PubChem CID171518990
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Nameethane;2-methyl-5-(propan-2-yloxymethyl)pyridine
SMILESCC.Cc1ccc(COC(C)C)cn1
InChIInChI=1S/C10H15NO.C2H6/c1-8(2)12-7-10-5-4-9(3)11-6-10;1-2/h4-6,8H,7H2,1-3H3;1-2H3
InChIKeyXQTOTEAPFBGAHW-UHFFFAOYSA-N
XLogP3.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-(2-methylhex-1-en-3-yloxymethyl)pyridine
CID 167004166
5-(methoxymethoxymethyl)-2-methylpyridine
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1-[(6-methyl-3-pyridinyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 55025852
5-(3-chloro-2-methylpropyl)-2-methylpyridine
CID 64664823
1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene
CID 70670788
methoxymethane;(6-methyl-3-pyridinyl)methanol
CID 145375166
6-[(6-methyl-3-pyridinyl)methoxy]pyridin-3-ol
CID 159410066
5-(cyclobutyloxymethyl)-2-methylpyridine
CID 148700580
2-methyl-3-(6-methyl-3-pyridinyl)propan-1-ol
CID 64666706
4-(propan-2-yloxymethyl)pyridine
CID 14442204
(6-methyl-3-pyridinyl)methanamine;hydrobromide
CID 133057273
2-(6-methyl-3-pyridinyl)propan-1-amine
CID 81021181

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-(propan-2-yloxymethyl)pyridine?
The IUPAC name of ethane;2-methyl-5-(propan-2-yloxymethyl)pyridine (CID 171518990) is ethane;2-methyl-5-(propan-2-yloxymethyl)pyridine.
What is the SMILES notation for ethane;2-methyl-5-(propan-2-yloxymethyl)pyridine?
The canonical SMILES for ethane;2-methyl-5-(propan-2-yloxymethyl)pyridine is CC.Cc1ccc(COC(C)C)cn1.
What is the InChIKey of ethane;2-methyl-5-(propan-2-yloxymethyl)pyridine?
The InChIKey is XQTOTEAPFBGAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C2H6/c1-8(2)12-7-10-5-4-9(3)11-6-10;1-2/h4-6,8H,7H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methyl-5-(propan-2-yloxymethyl)pyridine?
ethane;2-methyl-5-(propan-2-yloxymethyl)pyridine has a molecular weight of 195.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-(propan-2-yloxymethyl)pyridine is sourced from PubChem (CID 171518990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).