2-(4-butylcyclohexa-1,3-dien-1-yl)-4-cyclohexyl-1,3-diazete

C18H26N2 — CID 126635995

IUPAC2-(4-butylcyclohexa-1,3-dien-1-yl)-4-cyclohexyl-1,3-diazete
SMILESCCCCC1=CC=C(C2=NC(C3CCCCC3)=N2)CC1
InChIInChI=1S/C18H26N2/c1-2-3-7-14-10-12-16(13-11-14)18-19-17(20-18)15-8-5-4-6-9-15/h10,12,15H,2-9,11,13H2,1H3
InChIKeyIERPLXUZIFKLDS-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.21
Rot. Bonds5

About 2-(4-butylcyclohexa-1,3-dien-1-yl)-4-cyclohexyl-1,3-diazete

2-(4-butylcyclohexa-1,3-dien-1-yl)-4-cyclohexyl-1,3-diazete (PubChem CID 126635995) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(4-butylcyclohexa-1,3-dien-1-yl)-4-cyclohexyl-1,3-diazete.

Molecular Properties

Compound Name2-(4-butylcyclohexa-1,3-dien-1-yl)-4-cyclohexyl-1,3-diazete
PubChem CID126635995
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name2-(4-butylcyclohexa-1,3-dien-1-yl)-4-cyclohexyl-1,3-diazete
SMILESCCCCC1=CC=C(C2=NC(C3CCCCC3)=N2)CC1
InChIInChI=1S/C18H26N2/c1-2-3-7-14-10-12-16(13-11-14)18-19-17(20-18)15-8-5-4-6-9-15/h10,12,15H,2-9,11,13H2,1H3
InChIKeyIERPLXUZIFKLDS-UHFFFAOYSA-N
XLogP5.21
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butylcyclohexa-1,3-dien-1-yl)-4-cyclohexyl-1,3-diazete?
The IUPAC name of 2-(4-butylcyclohexa-1,3-dien-1-yl)-4-cyclohexyl-1,3-diazete (CID 126635995) is 2-(4-butylcyclohexa-1,3-dien-1-yl)-4-cyclohexyl-1,3-diazete.
What is the SMILES notation for 2-(4-butylcyclohexa-1,3-dien-1-yl)-4-cyclohexyl-1,3-diazete?
The canonical SMILES for 2-(4-butylcyclohexa-1,3-dien-1-yl)-4-cyclohexyl-1,3-diazete is CCCCC1=CC=C(C2=NC(C3CCCCC3)=N2)CC1.
What is the InChIKey of 2-(4-butylcyclohexa-1,3-dien-1-yl)-4-cyclohexyl-1,3-diazete?
The InChIKey is IERPLXUZIFKLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-2-3-7-14-10-12-16(13-11-14)18-19-17(20-18)15-8-5-4-6-9-15/h10,12,15H,2-9,11,13H2,1H3.
What are the key properties of 2-(4-butylcyclohexa-1,3-dien-1-yl)-4-cyclohexyl-1,3-diazete?
2-(4-butylcyclohexa-1,3-dien-1-yl)-4-cyclohexyl-1,3-diazete has a molecular weight of 270.42 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylcyclohexa-1,3-dien-1-yl)-4-cyclohexyl-1,3-diazete is sourced from PubChem (CID 126635995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).