5-ethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

C17H27N3 — CID 151605178

IUPAC5-ethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCc1ccc(N2CCN(C)CC2)c2c1CCCC2N
InChIInChI=1S/C17H27N3/c1-3-13-7-8-16(20-11-9-19(2)10-12-20)17-14(13)5-4-6-15(17)18/h7-8,15H,3-6,9-12,18H2,1-2H3
InChIKeyQLHVRQUEZBKDTE-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.34
Rot. Bonds2

About 5-ethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

5-ethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 151605178) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 5-ethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-ethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID151605178
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name5-ethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCc1ccc(N2CCN(C)CC2)c2c1CCCC2N
InChIInChI=1S/C17H27N3/c1-3-13-7-8-16(20-11-9-19(2)10-12-20)17-14(13)5-4-6-15(17)18/h7-8,15H,3-6,9-12,18H2,1-2H3
InChIKeyQLHVRQUEZBKDTE-UHFFFAOYSA-N
XLogP2.34
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-ethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 151605178) is 5-ethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-ethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-ethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is CCc1ccc(N2CCN(C)CC2)c2c1CCCC2N.
What is the InChIKey of 5-ethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is QLHVRQUEZBKDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-13-7-8-16(20-11-9-19(2)10-12-20)17-14(13)5-4-6-15(17)18/h7-8,15H,3-6,9-12,18H2,1-2H3.
What are the key properties of 5-ethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
5-ethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 273.42 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 151605178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).