6-(4-butan-2-ylpiperazin-1-yl)-4-methylpyridin-3-amine

C14H24N4 — CID 79176414

IUPAC6-(4-butan-2-ylpiperazin-1-yl)-4-methylpyridin-3-amine
SMILESCCC(C)N1CCN(c2cc(C)c(N)cn2)CC1
InChIInChI=1S/C14H24N4/c1-4-12(3)17-5-7-18(8-6-17)14-9-11(2)13(15)10-16-14/h9-10,12H,4-8,15H2,1-3H3
InChIKeyHCXJEBHIQYVAMR-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.89
Rot. Bonds3

About 6-(4-butan-2-ylpiperazin-1-yl)-4-methylpyridin-3-amine

6-(4-butan-2-ylpiperazin-1-yl)-4-methylpyridin-3-amine (PubChem CID 79176414) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-(4-butan-2-ylpiperazin-1-yl)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(4-butan-2-ylpiperazin-1-yl)-4-methylpyridin-3-amine
PubChem CID79176414
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name6-(4-butan-2-ylpiperazin-1-yl)-4-methylpyridin-3-amine
SMILESCCC(C)N1CCN(c2cc(C)c(N)cn2)CC1
InChIInChI=1S/C14H24N4/c1-4-12(3)17-5-7-18(8-6-17)14-9-11(2)13(15)10-16-14/h9-10,12H,4-8,15H2,1-3H3
InChIKeyHCXJEBHIQYVAMR-UHFFFAOYSA-N
XLogP1.89
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-butan-2-ylpiperazin-1-yl)-4-methylpyridin-3-amine?
The IUPAC name of 6-(4-butan-2-ylpiperazin-1-yl)-4-methylpyridin-3-amine (CID 79176414) is 6-(4-butan-2-ylpiperazin-1-yl)-4-methylpyridin-3-amine.
What is the SMILES notation for 6-(4-butan-2-ylpiperazin-1-yl)-4-methylpyridin-3-amine?
The canonical SMILES for 6-(4-butan-2-ylpiperazin-1-yl)-4-methylpyridin-3-amine is CCC(C)N1CCN(c2cc(C)c(N)cn2)CC1.
What is the InChIKey of 6-(4-butan-2-ylpiperazin-1-yl)-4-methylpyridin-3-amine?
The InChIKey is HCXJEBHIQYVAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-12(3)17-5-7-18(8-6-17)14-9-11(2)13(15)10-16-14/h9-10,12H,4-8,15H2,1-3H3.
What are the key properties of 6-(4-butan-2-ylpiperazin-1-yl)-4-methylpyridin-3-amine?
6-(4-butan-2-ylpiperazin-1-yl)-4-methylpyridin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butan-2-ylpiperazin-1-yl)-4-methylpyridin-3-amine is sourced from PubChem (CID 79176414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).