2-(6-butan-2-yl-2-pyridinyl)ethanamine;ethane

C13H24N2 — CID 156638943

IUPAC2-(6-butan-2-yl-2-pyridinyl)ethanamine;ethane
SMILESCC.CCC(C)c1cccc(CCN)n1
InChIInChI=1S/C11H18N2.C2H6/c1-3-9(2)11-6-4-5-10(13-11)7-8-12;1-2/h4-6,9H,3,7-8,12H2,1-2H3;1-2H3
InChIKeyKNBGJFWSDJJBAY-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.12
Rot. Bonds4

About 2-(6-butan-2-yl-2-pyridinyl)ethanamine;ethane

2-(6-butan-2-yl-2-pyridinyl)ethanamine;ethane (PubChem CID 156638943) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-(6-butan-2-yl-2-pyridinyl)ethanamine;ethane.

Molecular Properties

Compound Name2-(6-butan-2-yl-2-pyridinyl)ethanamine;ethane
PubChem CID156638943
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-(6-butan-2-yl-2-pyridinyl)ethanamine;ethane
SMILESCC.CCC(C)c1cccc(CCN)n1
InChIInChI=1S/C11H18N2.C2H6/c1-3-9(2)11-6-4-5-10(13-11)7-8-12;1-2/h4-6,9H,3,7-8,12H2,1-2H3;1-2H3
InChIKeyKNBGJFWSDJJBAY-UHFFFAOYSA-N
XLogP3.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-butan-2-yl-2-pyridinyl)ethanamine;ethane?
The IUPAC name of 2-(6-butan-2-yl-2-pyridinyl)ethanamine;ethane (CID 156638943) is 2-(6-butan-2-yl-2-pyridinyl)ethanamine;ethane.
What is the SMILES notation for 2-(6-butan-2-yl-2-pyridinyl)ethanamine;ethane?
The canonical SMILES for 2-(6-butan-2-yl-2-pyridinyl)ethanamine;ethane is CC.CCC(C)c1cccc(CCN)n1.
What is the InChIKey of 2-(6-butan-2-yl-2-pyridinyl)ethanamine;ethane?
The InChIKey is KNBGJFWSDJJBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.C2H6/c1-3-9(2)11-6-4-5-10(13-11)7-8-12;1-2/h4-6,9H,3,7-8,12H2,1-2H3;1-2H3.
What are the key properties of 2-(6-butan-2-yl-2-pyridinyl)ethanamine;ethane?
2-(6-butan-2-yl-2-pyridinyl)ethanamine;ethane has a molecular weight of 208.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-butan-2-yl-2-pyridinyl)ethanamine;ethane is sourced from PubChem (CID 156638943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).