4,9-dimethylidene-2-propan-2-yl-1H-1,3-diazonine

C12H16N2 — CID 135243264

IUPAC4,9-dimethylidene-2-propan-2-yl-1H-1,3-diazonine
SMILESC=c1ccccc(=C)[nH]c(C(C)C)n1
InChIInChI=1S/C12H16N2/c1-9(2)12-13-10(3)7-5-6-8-11(4)14-12/h5-9H,3-4H2,1-2H3,(H,13,14)/b7-5-,8-6-
InChIKeySMBSLBLVPWTTJM-SFECMWDFSA-N
MW188.27 g/mol
LogP1.48
Rot. Bonds1

About 4,9-dimethylidene-2-propan-2-yl-1H-1,3-diazonine

4,9-dimethylidene-2-propan-2-yl-1H-1,3-diazonine (PubChem CID 135243264) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4,9-dimethylidene-2-propan-2-yl-1H-1,3-diazonine.

Molecular Properties

Compound Name4,9-dimethylidene-2-propan-2-yl-1H-1,3-diazonine
PubChem CID135243264
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name4,9-dimethylidene-2-propan-2-yl-1H-1,3-diazonine
SMILESC=c1ccccc(=C)[nH]c(C(C)C)n1
InChIInChI=1S/C12H16N2/c1-9(2)12-13-10(3)7-5-6-8-11(4)14-12/h5-9H,3-4H2,1-2H3,(H,13,14)/b7-5-,8-6-
InChIKeySMBSLBLVPWTTJM-SFECMWDFSA-N
XLogP1.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,9-dimethylidene-2-propan-2-yl-1H-1,3-diazonine?
The IUPAC name of 4,9-dimethylidene-2-propan-2-yl-1H-1,3-diazonine (CID 135243264) is 4,9-dimethylidene-2-propan-2-yl-1H-1,3-diazonine.
What is the SMILES notation for 4,9-dimethylidene-2-propan-2-yl-1H-1,3-diazonine?
The canonical SMILES for 4,9-dimethylidene-2-propan-2-yl-1H-1,3-diazonine is C=c1ccccc(=C)[nH]c(C(C)C)n1.
What is the InChIKey of 4,9-dimethylidene-2-propan-2-yl-1H-1,3-diazonine?
The InChIKey is SMBSLBLVPWTTJM-SFECMWDFSA-N. The full InChI is InChI=1S/C12H16N2/c1-9(2)12-13-10(3)7-5-6-8-11(4)14-12/h5-9H,3-4H2,1-2H3,(H,13,14)/b7-5-,8-6-.
What are the key properties of 4,9-dimethylidene-2-propan-2-yl-1H-1,3-diazonine?
4,9-dimethylidene-2-propan-2-yl-1H-1,3-diazonine has a molecular weight of 188.27 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethylidene-2-propan-2-yl-1H-1,3-diazonine is sourced from PubChem (CID 135243264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).