ethane;6-(4-ethylpiperazin-1-yl)-11H-benzo[c][1]benzazepine

C22H29N3 — CID 161039230

IUPACethane;6-(4-ethylpiperazin-1-yl)-11H-benzo[c][1]benzazepine
SMILESCC.CCN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1
InChIInChI=1S/C20H23N3.C2H6/c1-2-22-11-13-23(14-12-22)20-18-9-5-3-7-16(18)15-17-8-4-6-10-19(17)21-20;1-2/h3-10H,2,11-15H2,1H3;1-2H3
InChIKeyUAQYFEDGXHKPPZ-UHFFFAOYSA-N
MW335.50 g/mol
LogP4.33
Rot. Bonds1

About ethane;6-(4-ethylpiperazin-1-yl)-11H-benzo[c][1]benzazepine

ethane;6-(4-ethylpiperazin-1-yl)-11H-benzo[c][1]benzazepine (PubChem CID 161039230) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is ethane;6-(4-ethylpiperazin-1-yl)-11H-benzo[c][1]benzazepine.

Molecular Properties

Compound Nameethane;6-(4-ethylpiperazin-1-yl)-11H-benzo[c][1]benzazepine
PubChem CID161039230
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC Nameethane;6-(4-ethylpiperazin-1-yl)-11H-benzo[c][1]benzazepine
SMILESCC.CCN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1
InChIInChI=1S/C20H23N3.C2H6/c1-2-22-11-13-23(14-12-22)20-18-9-5-3-7-16(18)15-17-8-4-6-10-19(17)21-20;1-2/h3-10H,2,11-15H2,1H3;1-2H3
InChIKeyUAQYFEDGXHKPPZ-UHFFFAOYSA-N
XLogP4.33
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;6-(4-ethylpiperazin-1-yl)-11H-benzo[c][1]benzazepine?
The IUPAC name of ethane;6-(4-ethylpiperazin-1-yl)-11H-benzo[c][1]benzazepine (CID 161039230) is ethane;6-(4-ethylpiperazin-1-yl)-11H-benzo[c][1]benzazepine.
What is the SMILES notation for ethane;6-(4-ethylpiperazin-1-yl)-11H-benzo[c][1]benzazepine?
The canonical SMILES for ethane;6-(4-ethylpiperazin-1-yl)-11H-benzo[c][1]benzazepine is CC.CCN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1.
What is the InChIKey of ethane;6-(4-ethylpiperazin-1-yl)-11H-benzo[c][1]benzazepine?
The InChIKey is UAQYFEDGXHKPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3.C2H6/c1-2-22-11-13-23(14-12-22)20-18-9-5-3-7-16(18)15-17-8-4-6-10-19(17)21-20;1-2/h3-10H,2,11-15H2,1H3;1-2H3.
What are the key properties of ethane;6-(4-ethylpiperazin-1-yl)-11H-benzo[c][1]benzazepine?
ethane;6-(4-ethylpiperazin-1-yl)-11H-benzo[c][1]benzazepine has a molecular weight of 335.50 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(4-ethylpiperazin-1-yl)-11H-benzo[c][1]benzazepine is sourced from PubChem (CID 161039230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).