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

C17H27N3 — CID 23009485

IUPACN-ethyl-3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1CC(N2CCN(C)CC2)Cc2ccccc21
InChIInChI=1S/C17H27N3/c1-3-18-17-13-15(20-10-8-19(2)9-11-20)12-14-6-4-5-7-16(14)17/h4-7,15,17-18H,3,8-13H2,1-2H3
InChIKeyJPRTWISUQHURPP-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.90
Rot. Bonds3

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

N-ethyl-3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 23009485) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-ethyl-3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID23009485
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-ethyl-3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1CC(N2CCN(C)CC2)Cc2ccccc21
InChIInChI=1S/C17H27N3/c1-3-18-17-13-15(20-10-8-19(2)9-11-20)12-14-6-4-5-7-16(14)17/h4-7,15,17-18H,3,8-13H2,1-2H3
InChIKeyJPRTWISUQHURPP-UHFFFAOYSA-N
XLogP1.90
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-ethyl-3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 23009485) is N-ethyl-3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-ethyl-3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-ethyl-3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is CCNC1CC(N2CCN(C)CC2)Cc2ccccc21.
What is the InChIKey of N-ethyl-3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JPRTWISUQHURPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-18-17-13-15(20-10-8-19(2)9-11-20)12-14-6-4-5-7-16(14)17/h4-7,15,17-18H,3,8-13H2,1-2H3.
What are the key properties of N-ethyl-3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-ethyl-3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 273.42 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 23009485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).