6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine

C13H22N4 — CID 80766785

IUPAC6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H22N4/c1-3-7-14-12-5-4-6-13(15-12)17-10-8-16(2)9-11-17/h4-6H,3,7-11H2,1-2H3,(H,14,15)
InChIKeyNCLBGEFVPUFSNJ-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.66
Rot. Bonds4

About 6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine

6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine (PubChem CID 80766785) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine
PubChem CID80766785
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H22N4/c1-3-7-14-12-5-4-6-13(15-12)17-10-8-16(2)9-11-17/h4-6H,3,7-11H2,1-2H3,(H,14,15)
InChIKeyNCLBGEFVPUFSNJ-UHFFFAOYSA-N
XLogP1.66
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine (CID 80766785) is 6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine is CCCNc1cccc(N2CCN(C)CC2)n1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine?
The InChIKey is NCLBGEFVPUFSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-7-14-12-5-4-6-13(15-12)17-10-8-16(2)9-11-17/h4-6H,3,7-11H2,1-2H3,(H,14,15).
What are the key properties of 6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine?
6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine is sourced from PubChem (CID 80766785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).