N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine

C16H26N4 — CID 82163854

IUPACN-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine
SMILESCCNCc1ccc2c(c1)CN(N1CCN(C)CC1)C2
InChIInChI=1S/C16H26N4/c1-3-17-11-14-4-5-15-12-20(13-16(15)10-14)19-8-6-18(2)7-9-19/h4-5,10,17H,3,6-9,11-13H2,1-2H3
InChIKeyUURDBXRUEGASDN-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.27
Rot. Bonds4

About N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine

N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine (PubChem CID 82163854) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine
PubChem CID82163854
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine
SMILESCCNCc1ccc2c(c1)CN(N1CCN(C)CC1)C2
InChIInChI=1S/C16H26N4/c1-3-17-11-14-4-5-15-12-20(13-16(15)10-14)19-8-6-18(2)7-9-19/h4-5,10,17H,3,6-9,11-13H2,1-2H3
InChIKeyUURDBXRUEGASDN-UHFFFAOYSA-N
XLogP1.27
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine (CID 82163854) is N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine is CCNCc1ccc2c(c1)CN(N1CCN(C)CC1)C2.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine?
The InChIKey is UURDBXRUEGASDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-17-11-14-4-5-15-12-20(13-16(15)10-14)19-8-6-18(2)7-9-19/h4-5,10,17H,3,6-9,11-13H2,1-2H3.
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine?
N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine has a molecular weight of 274.41 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82163854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).