ethane;2-methoxy-5-methyl-1,2,3,4-tetrahydropyridine

C11H25NO — CID 143542065

IUPACethane;2-methoxy-5-methyl-1,2,3,4-tetrahydropyridine
SMILESCC.CC.COC1CCC(C)=CN1
InChIInChI=1S/C7H13NO.2C2H6/c1-6-3-4-7(9-2)8-5-6;2*1-2/h5,7-8H,3-4H2,1-2H3;2*1-2H3
InChIKeyYEBKGIGSNNCVSC-UHFFFAOYSA-N
MW187.33 g/mol
LogP3.30
Rot. Bonds1

About ethane;2-methoxy-5-methyl-1,2,3,4-tetrahydropyridine

ethane;2-methoxy-5-methyl-1,2,3,4-tetrahydropyridine (PubChem CID 143542065) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;2-methoxy-5-methyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Nameethane;2-methoxy-5-methyl-1,2,3,4-tetrahydropyridine
PubChem CID143542065
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethane;2-methoxy-5-methyl-1,2,3,4-tetrahydropyridine
SMILESCC.CC.COC1CCC(C)=CN1
InChIInChI=1S/C7H13NO.2C2H6/c1-6-3-4-7(9-2)8-5-6;2*1-2/h5,7-8H,3-4H2,1-2H3;2*1-2H3
InChIKeyYEBKGIGSNNCVSC-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-5-methyl-1,2,3,4-tetrahydropyridine
CID 141541361
6-methoxy-N-methyl-3-methylidenehexan-1-amine
CID 117268175

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-5-methyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of ethane;2-methoxy-5-methyl-1,2,3,4-tetrahydropyridine (CID 143542065) is ethane;2-methoxy-5-methyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for ethane;2-methoxy-5-methyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for ethane;2-methoxy-5-methyl-1,2,3,4-tetrahydropyridine is CC.CC.COC1CCC(C)=CN1.
What is the InChIKey of ethane;2-methoxy-5-methyl-1,2,3,4-tetrahydropyridine?
The InChIKey is YEBKGIGSNNCVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.2C2H6/c1-6-3-4-7(9-2)8-5-6;2*1-2/h5,7-8H,3-4H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-methoxy-5-methyl-1,2,3,4-tetrahydropyridine?
ethane;2-methoxy-5-methyl-1,2,3,4-tetrahydropyridine has a molecular weight of 187.33 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-5-methyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 143542065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).