6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine

C16H28N4 — CID 79231506

IUPAC6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CN2CCN(C)C(CC)C2)n1
InChIInChI=1S/C16H28N4/c1-4-9-17-16-8-6-7-14(18-16)12-20-11-10-19(3)15(5-2)13-20/h6-8,15H,4-5,9-13H2,1-3H3,(H,17,18)
InChIKeyYFGRELXSUFVNKP-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.43
Rot. Bonds6

About 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine

6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine (PubChem CID 79231506) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
PubChem CID79231506
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CN2CCN(C)C(CC)C2)n1
InChIInChI=1S/C16H28N4/c1-4-9-17-16-8-6-7-14(18-16)12-20-11-10-19(3)15(5-2)13-20/h6-8,15H,4-5,9-13H2,1-3H3,(H,17,18)
InChIKeyYFGRELXSUFVNKP-UHFFFAOYSA-N
XLogP2.43
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine (CID 79231506) is 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine is CCCNc1cccc(CN2CCN(C)C(CC)C2)n1.
What is the InChIKey of 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine?
The InChIKey is YFGRELXSUFVNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-9-17-16-8-6-7-14(18-16)12-20-11-10-19(3)15(5-2)13-20/h6-8,15H,4-5,9-13H2,1-3H3,(H,17,18).
What are the key properties of 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine?
6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 79231506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).