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

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

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

Launch Full Analysis

Related Compounds

7-Methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazepine
CID 22959166
6-methylidene-2-propan-2-yl-1H-pyrimidine
CID 58222476
(5Z,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine
CID 68220253
2-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]propanimidamide
CID 89170024
9-Methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine
CID 90836516
(4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole
CID 91464077
N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide
CID 121279957
N,N'-bis(but-2-en-2-yl)propanimidamide
CID 123391975
N-tert-butyl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine
CID 123618590
(7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine
CID 123778633
(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole
CID 129018850
(4E,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-1H-imidazole
CID 129019078

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).