9-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine

C11H16N2 — CID 90836516

IUPAC9-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine
SMILESC=C1C=CC=CC/N=C(/C(C)C)N1
InChIInChI=1S/C11H16N2/c1-9(2)11-12-8-6-4-5-7-10(3)13-11/h4-7,9H,3,8H2,1-2H3,(H,12,13)
InChIKeyPGZOKUAKGGCELI-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.27
Rot. Bonds1

About 9-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine

9-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine (PubChem CID 90836516) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 9-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine.

Molecular Properties

Compound Name9-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine
PubChem CID90836516
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name9-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine
SMILESC=C1C=CC=CC/N=C(/C(C)C)N1
InChIInChI=1S/C11H16N2/c1-9(2)11-12-8-6-4-5-7-10(3)13-11/h4-7,9H,3,8H2,1-2H3,(H,12,13)
InChIKeyPGZOKUAKGGCELI-UHFFFAOYSA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide
CID 126707495
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'-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylpropanimidamide
CID 89152923
(5E,7Z)-2-ethyl-9-methylidene-1,4-dihydro-1,3-diazonine-5-carbonitrile
CID 90229017
(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-(3-methyliminoprop-1-en-2-yl)-N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide
CID 123236031
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

Frequently Asked Questions

What is the IUPAC name of 9-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine?
The IUPAC name of 9-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine (CID 90836516) is 9-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine.
What is the SMILES notation for 9-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine?
The canonical SMILES for 9-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine is C=C1C=CC=CC/N=C(/C(C)C)N1.
What is the InChIKey of 9-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine?
The InChIKey is PGZOKUAKGGCELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9(2)11-12-8-6-4-5-7-10(3)13-11/h4-7,9H,3,8H2,1-2H3,(H,12,13).
What are the key properties of 9-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine?
9-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine has a molecular weight of 176.26 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine is sourced from PubChem (CID 90836516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).