4-ethyl-2-[(4-ethyl-1,2-dihydroazet-2-yl)-bis(4-ethyl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete

C21H32N4 — CID 58915532

IUPAC4-ethyl-2-[(4-ethyl-1,2-dihydroazet-2-yl)-bis(4-ethyl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete
SMILESCCC1=CC(C(C2CC(CC)=N2)(C2CC(CC)=N2)C2CC(CC)=N2)N1
InChIInChI=1S/C21H32N4/c1-5-13-9-17(22-13)21(18-10-14(6-2)23-18,19-11-15(7-3)24-19)20-12-16(8-4)25-20/h9,17-20,22H,5-8,10-12H2,1-4H3
InChIKeyIRHXEEUZKDKAPC-UHFFFAOYSA-N
MW340.52 g/mol
LogP4.11
Rot. Bonds8

About 4-ethyl-2-[(4-ethyl-1,2-dihydroazet-2-yl)-bis(4-ethyl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete

4-ethyl-2-[(4-ethyl-1,2-dihydroazet-2-yl)-bis(4-ethyl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete (PubChem CID 58915532) has the molecular formula C21H32N4 and a molecular weight of 340.52 g/mol. Its IUPAC name is 4-ethyl-2-[(4-ethyl-1,2-dihydroazet-2-yl)-bis(4-ethyl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete.

Molecular Properties

Compound Name4-ethyl-2-[(4-ethyl-1,2-dihydroazet-2-yl)-bis(4-ethyl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete
PubChem CID58915532
Molecular FormulaC21H32N4
Molecular Weight340.52 g/mol
Exact Mass340.26
IUPAC Name4-ethyl-2-[(4-ethyl-1,2-dihydroazet-2-yl)-bis(4-ethyl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete
SMILESCCC1=CC(C(C2CC(CC)=N2)(C2CC(CC)=N2)C2CC(CC)=N2)N1
InChIInChI=1S/C21H32N4/c1-5-13-9-17(22-13)21(18-10-14(6-2)23-18,19-11-15(7-3)24-19)20-12-16(8-4)25-20/h9,17-20,22H,5-8,10-12H2,1-4H3
InChIKeyIRHXEEUZKDKAPC-UHFFFAOYSA-N
XLogP4.11
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(4-ethyl-1,2-dihydroazet-2-yl)-bis(4-ethyl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete?
The IUPAC name of 4-ethyl-2-[(4-ethyl-1,2-dihydroazet-2-yl)-bis(4-ethyl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete (CID 58915532) is 4-ethyl-2-[(4-ethyl-1,2-dihydroazet-2-yl)-bis(4-ethyl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete.
What is the SMILES notation for 4-ethyl-2-[(4-ethyl-1,2-dihydroazet-2-yl)-bis(4-ethyl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete?
The canonical SMILES for 4-ethyl-2-[(4-ethyl-1,2-dihydroazet-2-yl)-bis(4-ethyl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete is CCC1=CC(C(C2CC(CC)=N2)(C2CC(CC)=N2)C2CC(CC)=N2)N1.
What is the InChIKey of 4-ethyl-2-[(4-ethyl-1,2-dihydroazet-2-yl)-bis(4-ethyl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete?
The InChIKey is IRHXEEUZKDKAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4/c1-5-13-9-17(22-13)21(18-10-14(6-2)23-18,19-11-15(7-3)24-19)20-12-16(8-4)25-20/h9,17-20,22H,5-8,10-12H2,1-4H3.
What are the key properties of 4-ethyl-2-[(4-ethyl-1,2-dihydroazet-2-yl)-bis(4-ethyl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete?
4-ethyl-2-[(4-ethyl-1,2-dihydroazet-2-yl)-bis(4-ethyl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete has a molecular weight of 340.52 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(4-ethyl-1,2-dihydroazet-2-yl)-bis(4-ethyl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete is sourced from PubChem (CID 58915532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).