5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridin-2-amine

C16H28N4 — CID 61241218

IUPAC5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridin-2-amine
SMILESCc1ccc(NCC(C(C)C)N2CCN(C)CC2)nc1
InChIInChI=1S/C16H28N4/c1-13(2)15(20-9-7-19(4)8-10-20)12-18-16-6-5-14(3)11-17-16/h5-6,11,13,15H,7-10,12H2,1-4H3,(H,17,18)
InChIKeyUFSBPSGJQGUYLN-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.07
Rot. Bonds5

About 5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridin-2-amine

5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridin-2-amine (PubChem CID 61241218) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridin-2-amine
PubChem CID61241218
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridin-2-amine
SMILESCc1ccc(NCC(C(C)C)N2CCN(C)CC2)nc1
InChIInChI=1S/C16H28N4/c1-13(2)15(20-9-7-19(4)8-10-20)12-18-16-6-5-14(3)11-17-16/h5-6,11,13,15H,7-10,12H2,1-4H3,(H,17,18)
InChIKeyUFSBPSGJQGUYLN-UHFFFAOYSA-N
XLogP2.07
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]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 5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridin-2-amine?
The IUPAC name of 5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridin-2-amine (CID 61241218) is 5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridin-2-amine.
What is the SMILES notation for 5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridin-2-amine?
The canonical SMILES for 5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridin-2-amine is Cc1ccc(NCC(C(C)C)N2CCN(C)CC2)nc1.
What is the InChIKey of 5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridin-2-amine?
The InChIKey is UFSBPSGJQGUYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13(2)15(20-9-7-19(4)8-10-20)12-18-16-6-5-14(3)11-17-16/h5-6,11,13,15H,7-10,12H2,1-4H3,(H,17,18).
What are the key properties of 5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridin-2-amine?
5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridin-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridin-2-amine is sourced from PubChem (CID 61241218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).