6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine

C13H22N4 — CID 80653536

IUPAC6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine
SMILESCC(C)CN1CCN(c2cccc(N)n2)CC1
InChIInChI=1S/C13H22N4/c1-11(2)10-16-6-8-17(9-7-16)13-5-3-4-12(14)15-13/h3-5,11H,6-10H2,1-2H3,(H2,14,15)
InChIKeyKWGYCTPQPKKAFD-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.44
Rot. Bonds3

About 6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine

6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine (PubChem CID 80653536) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine
PubChem CID80653536
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine
SMILESCC(C)CN1CCN(c2cccc(N)n2)CC1
InChIInChI=1S/C13H22N4/c1-11(2)10-16-6-8-17(9-7-16)13-5-3-4-12(14)15-13/h3-5,11H,6-10H2,1-2H3,(H2,14,15)
InChIKeyKWGYCTPQPKKAFD-UHFFFAOYSA-N
XLogP1.44
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine?
The IUPAC name of 6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine (CID 80653536) is 6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine.
What is the SMILES notation for 6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine?
The canonical SMILES for 6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine is CC(C)CN1CCN(c2cccc(N)n2)CC1.
What is the InChIKey of 6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine?
The InChIKey is KWGYCTPQPKKAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11(2)10-16-6-8-17(9-7-16)13-5-3-4-12(14)15-13/h3-5,11H,6-10H2,1-2H3,(H2,14,15).
What are the key properties of 6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine?
6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine is sourced from PubChem (CID 80653536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).