5-chloro-3-methyl-N-propan-2-ylpyridin-2-amine;ethane

C11H19ClN2 — CID 156849552

IUPAC5-chloro-3-methyl-N-propan-2-ylpyridin-2-amine;ethane
SMILESCC.Cc1cc(Cl)cnc1NC(C)C
InChIInChI=1S/C9H13ClN2.C2H6/c1-6(2)12-9-7(3)4-8(10)5-11-9;1-2/h4-6H,1-3H3,(H,11,12);1-2H3
InChIKeyWLOALERCWRGTEA-UHFFFAOYSA-N
MW214.74 g/mol
LogP3.89
Rot. Bonds2

About 5-chloro-3-methyl-N-propan-2-ylpyridin-2-amine;ethane

5-chloro-3-methyl-N-propan-2-ylpyridin-2-amine;ethane (PubChem CID 156849552) has the molecular formula C11H19ClN2 and a molecular weight of 214.74 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-propan-2-ylpyridin-2-amine;ethane.

Molecular Properties

Compound Name5-chloro-3-methyl-N-propan-2-ylpyridin-2-amine;ethane
PubChem CID156849552
Molecular FormulaC11H19ClN2
Molecular Weight214.74 g/mol
Exact Mass214.12
IUPAC Name5-chloro-3-methyl-N-propan-2-ylpyridin-2-amine;ethane
SMILESCC.Cc1cc(Cl)cnc1NC(C)C
InChIInChI=1S/C9H13ClN2.C2H6/c1-6(2)12-9-7(3)4-8(10)5-11-9;1-2/h4-6H,1-3H3,(H,11,12);1-2H3
InChIKeyWLOALERCWRGTEA-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-propan-2-ylpyridin-2-amine;ethane?
The IUPAC name of 5-chloro-3-methyl-N-propan-2-ylpyridin-2-amine;ethane (CID 156849552) is 5-chloro-3-methyl-N-propan-2-ylpyridin-2-amine;ethane.
What is the SMILES notation for 5-chloro-3-methyl-N-propan-2-ylpyridin-2-amine;ethane?
The canonical SMILES for 5-chloro-3-methyl-N-propan-2-ylpyridin-2-amine;ethane is CC.Cc1cc(Cl)cnc1NC(C)C.
What is the InChIKey of 5-chloro-3-methyl-N-propan-2-ylpyridin-2-amine;ethane?
The InChIKey is WLOALERCWRGTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2.C2H6/c1-6(2)12-9-7(3)4-8(10)5-11-9;1-2/h4-6H,1-3H3,(H,11,12);1-2H3.
What are the key properties of 5-chloro-3-methyl-N-propan-2-ylpyridin-2-amine;ethane?
5-chloro-3-methyl-N-propan-2-ylpyridin-2-amine;ethane has a molecular weight of 214.74 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-propan-2-ylpyridin-2-amine;ethane is sourced from PubChem (CID 156849552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).