1-ethyl-3-methyl-2H-pyridine;methane

C9H17N — CID 174755616

IUPAC1-ethyl-3-methyl-2H-pyridine;methane
SMILESC.CCN1C=CC=C(C)C1
InChIInChI=1S/C8H13N.CH4/c1-3-9-6-4-5-8(2)7-9;/h4-6H,3,7H2,1-2H3;1H4
InChIKeyCTBOCLMHIGCTNN-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.42
Rot. Bonds1

About 1-ethyl-3-methyl-2H-pyridine;methane

1-ethyl-3-methyl-2H-pyridine;methane (PubChem CID 174755616) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2H-pyridine;methane.

Molecular Properties

Compound Name1-ethyl-3-methyl-2H-pyridine;methane
PubChem CID174755616
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-ethyl-3-methyl-2H-pyridine;methane
SMILESC.CCN1C=CC=C(C)C1
InChIInChI=1S/C8H13N.CH4/c1-3-9-6-4-5-8(2)7-9;/h4-6H,3,7H2,1-2H3;1H4
InChIKeyCTBOCLMHIGCTNN-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2H-pyridine;methane?
The IUPAC name of 1-ethyl-3-methyl-2H-pyridine;methane (CID 174755616) is 1-ethyl-3-methyl-2H-pyridine;methane.
What is the SMILES notation for 1-ethyl-3-methyl-2H-pyridine;methane?
The canonical SMILES for 1-ethyl-3-methyl-2H-pyridine;methane is C.CCN1C=CC=C(C)C1.
What is the InChIKey of 1-ethyl-3-methyl-2H-pyridine;methane?
The InChIKey is CTBOCLMHIGCTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.CH4/c1-3-9-6-4-5-8(2)7-9;/h4-6H,3,7H2,1-2H3;1H4.
What are the key properties of 1-ethyl-3-methyl-2H-pyridine;methane?
1-ethyl-3-methyl-2H-pyridine;methane has a molecular weight of 139.24 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2H-pyridine;methane is sourced from PubChem (CID 174755616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).