4-tert-butyl-3-chloro-N-cyclobutylpyridin-2-amine

C13H19ClN2 — CID 166900638

IUPAC4-tert-butyl-3-chloro-N-cyclobutylpyridin-2-amine
SMILESCC(C)(C)c1ccnc(NC2CCC2)c1Cl
InChIInChI=1S/C13H19ClN2/c1-13(2,3)10-7-8-15-12(11(10)14)16-9-5-4-6-9/h7-9H,4-6H2,1-3H3,(H,15,16)
InChIKeyMSZREBADPACKFS-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.00
Rot. Bonds2

About 4-tert-butyl-3-chloro-N-cyclobutylpyridin-2-amine

4-tert-butyl-3-chloro-N-cyclobutylpyridin-2-amine (PubChem CID 166900638) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 4-tert-butyl-3-chloro-N-cyclobutylpyridin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-3-chloro-N-cyclobutylpyridin-2-amine
PubChem CID166900638
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name4-tert-butyl-3-chloro-N-cyclobutylpyridin-2-amine
SMILESCC(C)(C)c1ccnc(NC2CCC2)c1Cl
InChIInChI=1S/C13H19ClN2/c1-13(2,3)10-7-8-15-12(11(10)14)16-9-5-4-6-9/h7-9H,4-6H2,1-3H3,(H,15,16)
InChIKeyMSZREBADPACKFS-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-chloro-N-cyclobutylpyridin-2-amine?
The IUPAC name of 4-tert-butyl-3-chloro-N-cyclobutylpyridin-2-amine (CID 166900638) is 4-tert-butyl-3-chloro-N-cyclobutylpyridin-2-amine.
What is the SMILES notation for 4-tert-butyl-3-chloro-N-cyclobutylpyridin-2-amine?
The canonical SMILES for 4-tert-butyl-3-chloro-N-cyclobutylpyridin-2-amine is CC(C)(C)c1ccnc(NC2CCC2)c1Cl.
What is the InChIKey of 4-tert-butyl-3-chloro-N-cyclobutylpyridin-2-amine?
The InChIKey is MSZREBADPACKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-13(2,3)10-7-8-15-12(11(10)14)16-9-5-4-6-9/h7-9H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 4-tert-butyl-3-chloro-N-cyclobutylpyridin-2-amine?
4-tert-butyl-3-chloro-N-cyclobutylpyridin-2-amine has a molecular weight of 238.76 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-chloro-N-cyclobutylpyridin-2-amine is sourced from PubChem (CID 166900638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).