2,2-dimethyl-4-[(Z)-2-methylbut-1-enyl]-1H-1,3-diazete

C9H16N2 — CID 90760499

IUPAC2,2-dimethyl-4-[(Z)-2-methylbut-1-enyl]-1H-1,3-diazete
SMILESCC/C(C)=C\C1=NC(C)(C)N1
InChIInChI=1S/C9H16N2/c1-5-7(2)6-8-10-9(3,4)11-8/h6H,5H2,1-4H3,(H,10,11)/b7-6-
InChIKeyZLURIDIOZGSQTP-SREVYHEPSA-N
MW152.24 g/mol
LogP2.08
Rot. Bonds2

About 2,2-dimethyl-4-[(Z)-2-methylbut-1-enyl]-1H-1,3-diazete

2,2-dimethyl-4-[(Z)-2-methylbut-1-enyl]-1H-1,3-diazete (PubChem CID 90760499) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(Z)-2-methylbut-1-enyl]-1H-1,3-diazete.

Molecular Properties

Compound Name2,2-dimethyl-4-[(Z)-2-methylbut-1-enyl]-1H-1,3-diazete
PubChem CID90760499
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2,2-dimethyl-4-[(Z)-2-methylbut-1-enyl]-1H-1,3-diazete
SMILESCC/C(C)=C\C1=NC(C)(C)N1
InChIInChI=1S/C9H16N2/c1-5-7(2)6-8-10-9(3,4)11-8/h6H,5H2,1-4H3,(H,10,11)/b7-6-
InChIKeyZLURIDIOZGSQTP-SREVYHEPSA-N
XLogP2.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-4-[(Z)-2-methylbut-1-enyl]-1H-1,3-diazete with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(Z)-2-methylbut-1-enyl]-1H-1,3-diazete?
The IUPAC name of 2,2-dimethyl-4-[(Z)-2-methylbut-1-enyl]-1H-1,3-diazete (CID 90760499) is 2,2-dimethyl-4-[(Z)-2-methylbut-1-enyl]-1H-1,3-diazete.
What is the SMILES notation for 2,2-dimethyl-4-[(Z)-2-methylbut-1-enyl]-1H-1,3-diazete?
The canonical SMILES for 2,2-dimethyl-4-[(Z)-2-methylbut-1-enyl]-1H-1,3-diazete is CC/C(C)=C\C1=NC(C)(C)N1.
What is the InChIKey of 2,2-dimethyl-4-[(Z)-2-methylbut-1-enyl]-1H-1,3-diazete?
The InChIKey is ZLURIDIOZGSQTP-SREVYHEPSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-7(2)6-8-10-9(3,4)11-8/h6H,5H2,1-4H3,(H,10,11)/b7-6-.
What are the key properties of 2,2-dimethyl-4-[(Z)-2-methylbut-1-enyl]-1H-1,3-diazete?
2,2-dimethyl-4-[(Z)-2-methylbut-1-enyl]-1H-1,3-diazete has a molecular weight of 152.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(Z)-2-methylbut-1-enyl]-1H-1,3-diazete is sourced from PubChem (CID 90760499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).