2,7-dimethylidene-8-propan-2-yl-1H-1,3-diazonine

C12H16N2 — CID 134442485

IUPAC2,7-dimethylidene-8-propan-2-yl-1H-1,3-diazonine
SMILESC=c1ncccc(=C)c(C(C)C)c[nH]1
InChIInChI=1S/C12H16N2/c1-9(2)12-8-14-11(4)13-7-5-6-10(12)3/h5-9,14H,3-4H2,1-2H3/b6-5-,12-8-,13-7-
InChIKeyQEFWTKUKPWEWNR-BNUFCVLRSA-N
MW188.27 g/mol
LogP1.48
Rot. Bonds1

About 2,7-dimethylidene-8-propan-2-yl-1H-1,3-diazonine

2,7-dimethylidene-8-propan-2-yl-1H-1,3-diazonine (PubChem CID 134442485) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,7-dimethylidene-8-propan-2-yl-1H-1,3-diazonine.

Molecular Properties

Compound Name2,7-dimethylidene-8-propan-2-yl-1H-1,3-diazonine
PubChem CID134442485
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2,7-dimethylidene-8-propan-2-yl-1H-1,3-diazonine
SMILESC=c1ncccc(=C)c(C(C)C)c[nH]1
InChIInChI=1S/C12H16N2/c1-9(2)12-8-14-11(4)13-7-5-6-10(12)3/h5-9,14H,3-4H2,1-2H3/b6-5-,12-8-,13-7-
InChIKeyQEFWTKUKPWEWNR-BNUFCVLRSA-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 2,7-dimethylidene-8-propan-2-yl-1H-1,3-diazonine?
The IUPAC name of 2,7-dimethylidene-8-propan-2-yl-1H-1,3-diazonine (CID 134442485) is 2,7-dimethylidene-8-propan-2-yl-1H-1,3-diazonine.
What is the SMILES notation for 2,7-dimethylidene-8-propan-2-yl-1H-1,3-diazonine?
The canonical SMILES for 2,7-dimethylidene-8-propan-2-yl-1H-1,3-diazonine is C=c1ncccc(=C)c(C(C)C)c[nH]1.
What is the InChIKey of 2,7-dimethylidene-8-propan-2-yl-1H-1,3-diazonine?
The InChIKey is QEFWTKUKPWEWNR-BNUFCVLRSA-N. The full InChI is InChI=1S/C12H16N2/c1-9(2)12-8-14-11(4)13-7-5-6-10(12)3/h5-9,14H,3-4H2,1-2H3/b6-5-,12-8-,13-7-.
What are the key properties of 2,7-dimethylidene-8-propan-2-yl-1H-1,3-diazonine?
2,7-dimethylidene-8-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 2,7-dimethylidene-8-propan-2-yl-1H-1,3-diazonine is sourced from PubChem (CID 134442485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).