5-chloro-4-methyl-N-propan-2-ylpyridin-2-amine

C9H13ClN2 — CID 58542754

IUPAC5-chloro-4-methyl-N-propan-2-ylpyridin-2-amine
SMILESCc1cc(NC(C)C)ncc1Cl
InChIInChI=1S/C9H13ClN2/c1-6(2)12-9-4-7(3)8(10)5-11-9/h4-6H,1-3H3,(H,11,12)
InChIKeyVUDKEXXSLVLQLQ-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.86
Rot. Bonds2

About 5-chloro-4-methyl-N-propan-2-ylpyridin-2-amine

5-chloro-4-methyl-N-propan-2-ylpyridin-2-amine (PubChem CID 58542754) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 5-chloro-4-methyl-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-methyl-N-propan-2-ylpyridin-2-amine
PubChem CID58542754
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name5-chloro-4-methyl-N-propan-2-ylpyridin-2-amine
SMILESCc1cc(NC(C)C)ncc1Cl
InChIInChI=1S/C9H13ClN2/c1-6(2)12-9-4-7(3)8(10)5-11-9/h4-6H,1-3H3,(H,11,12)
InChIKeyVUDKEXXSLVLQLQ-UHFFFAOYSA-N
XLogP2.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-chloro-4-methyl-N-propan-2-ylpyridin-2-amine (CID 58542754) is 5-chloro-4-methyl-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-chloro-4-methyl-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-chloro-4-methyl-N-propan-2-ylpyridin-2-amine is Cc1cc(NC(C)C)ncc1Cl.
What is the InChIKey of 5-chloro-4-methyl-N-propan-2-ylpyridin-2-amine?
The InChIKey is VUDKEXXSLVLQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-6(2)12-9-4-7(3)8(10)5-11-9/h4-6H,1-3H3,(H,11,12).
What are the key properties of 5-chloro-4-methyl-N-propan-2-ylpyridin-2-amine?
5-chloro-4-methyl-N-propan-2-ylpyridin-2-amine has a molecular weight of 184.67 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 58542754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).