(3,3,5-trimethylcyclohepta-1,6-dien-1-yl)azaniumylideneazanide

C10H16N2 — CID 163628262

IUPAC(3,3,5-trimethylcyclohepta-1,6-dien-1-yl)azaniumylideneazanide
SMILESCC1C=CC([NH+]=[N-])=CC(C)(C)C1
InChIInChI=1S/C10H16N2/c1-8-4-5-9(12-11)7-10(2,3)6-8/h4-5,7-8,12H,6H2,1-3H3
InChIKeyHTVIGQGJBNJURJ-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.59
Rot. Bonds1

About (3,3,5-trimethylcyclohepta-1,6-dien-1-yl)azaniumylideneazanide

(3,3,5-trimethylcyclohepta-1,6-dien-1-yl)azaniumylideneazanide (PubChem CID 163628262) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (3,3,5-trimethylcyclohepta-1,6-dien-1-yl)azaniumylideneazanide.

Molecular Properties

Compound Name(3,3,5-trimethylcyclohepta-1,6-dien-1-yl)azaniumylideneazanide
PubChem CID163628262
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(3,3,5-trimethylcyclohepta-1,6-dien-1-yl)azaniumylideneazanide
SMILESCC1C=CC([NH+]=[N-])=CC(C)(C)C1
InChIInChI=1S/C10H16N2/c1-8-4-5-9(12-11)7-10(2,3)6-8/h4-5,7-8,12H,6H2,1-3H3
InChIKeyHTVIGQGJBNJURJ-UHFFFAOYSA-N
XLogP1.59
TPSA36.27 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,3,5-trimethylcyclohepta-1,6-dien-1-yl)azaniumylideneazanide?
The IUPAC name of (3,3,5-trimethylcyclohepta-1,6-dien-1-yl)azaniumylideneazanide (CID 163628262) is (3,3,5-trimethylcyclohepta-1,6-dien-1-yl)azaniumylideneazanide.
What is the SMILES notation for (3,3,5-trimethylcyclohepta-1,6-dien-1-yl)azaniumylideneazanide?
The canonical SMILES for (3,3,5-trimethylcyclohepta-1,6-dien-1-yl)azaniumylideneazanide is CC1C=CC([NH+]=[N-])=CC(C)(C)C1.
What is the InChIKey of (3,3,5-trimethylcyclohepta-1,6-dien-1-yl)azaniumylideneazanide?
The InChIKey is HTVIGQGJBNJURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-4-5-9(12-11)7-10(2,3)6-8/h4-5,7-8,12H,6H2,1-3H3.
What are the key properties of (3,3,5-trimethylcyclohepta-1,6-dien-1-yl)azaniumylideneazanide?
(3,3,5-trimethylcyclohepta-1,6-dien-1-yl)azaniumylideneazanide has a molecular weight of 164.25 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,5-trimethylcyclohepta-1,6-dien-1-yl)azaniumylideneazanide is sourced from PubChem (CID 163628262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).