ethane;4-methyl-N-[1-(6-methyl-2-pyridinyl)ethyl]aniline

C19H30N2 — CID 161478686

IUPACethane;4-methyl-N-[1-(6-methyl-2-pyridinyl)ethyl]aniline
SMILESCC.CC.Cc1ccc(NC(C)c2cccc(C)n2)cc1
InChIInChI=1S/C15H18N2.2C2H6/c1-11-7-9-14(10-8-11)17-13(3)15-6-4-5-12(2)16-15;2*1-2/h4-10,13,17H,1-3H3;2*1-2H3
InChIKeyWEBFUBRNUQUTFJ-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.92
Rot. Bonds3

About ethane;4-methyl-N-[1-(6-methyl-2-pyridinyl)ethyl]aniline

ethane;4-methyl-N-[1-(6-methyl-2-pyridinyl)ethyl]aniline (PubChem CID 161478686) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is ethane;4-methyl-N-[1-(6-methyl-2-pyridinyl)ethyl]aniline.

Molecular Properties

Compound Nameethane;4-methyl-N-[1-(6-methyl-2-pyridinyl)ethyl]aniline
PubChem CID161478686
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Nameethane;4-methyl-N-[1-(6-methyl-2-pyridinyl)ethyl]aniline
SMILESCC.CC.Cc1ccc(NC(C)c2cccc(C)n2)cc1
InChIInChI=1S/C15H18N2.2C2H6/c1-11-7-9-14(10-8-11)17-13(3)15-6-4-5-12(2)16-15;2*1-2/h4-10,13,17H,1-3H3;2*1-2H3
InChIKeyWEBFUBRNUQUTFJ-UHFFFAOYSA-N
XLogP5.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-N-[1-(6-methyl-2-pyridinyl)ethyl]aniline?
The IUPAC name of ethane;4-methyl-N-[1-(6-methyl-2-pyridinyl)ethyl]aniline (CID 161478686) is ethane;4-methyl-N-[1-(6-methyl-2-pyridinyl)ethyl]aniline.
What is the SMILES notation for ethane;4-methyl-N-[1-(6-methyl-2-pyridinyl)ethyl]aniline?
The canonical SMILES for ethane;4-methyl-N-[1-(6-methyl-2-pyridinyl)ethyl]aniline is CC.CC.Cc1ccc(NC(C)c2cccc(C)n2)cc1.
What is the InChIKey of ethane;4-methyl-N-[1-(6-methyl-2-pyridinyl)ethyl]aniline?
The InChIKey is WEBFUBRNUQUTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2.2C2H6/c1-11-7-9-14(10-8-11)17-13(3)15-6-4-5-12(2)16-15;2*1-2/h4-10,13,17H,1-3H3;2*1-2H3.
What are the key properties of ethane;4-methyl-N-[1-(6-methyl-2-pyridinyl)ethyl]aniline?
ethane;4-methyl-N-[1-(6-methyl-2-pyridinyl)ethyl]aniline has a molecular weight of 286.46 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-N-[1-(6-methyl-2-pyridinyl)ethyl]aniline is sourced from PubChem (CID 161478686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).