(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium

C9H12N+ — CID 86016874

IUPAC(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
SMILESCC(C)=C1C=CC(=[NH2+])C=C1
InChIInChI=1S/C9H11N/c1-7(2)8-3-5-9(10)6-4-8/h3-6,10H,1-2H3/p+1
InChIKeyGAOGNICKSLHIMI-UHFFFAOYSA-O
MW134.20 g/mol
LogP0.65
Rot. Bonds

About (4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium

(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium (PubChem CID 86016874) has the molecular formula C9H12N+ and a molecular weight of 134.20 g/mol. Its IUPAC name is (4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium.

Molecular Properties

Compound Name(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
PubChem CID86016874
Molecular FormulaC9H12N+
Molecular Weight134.20 g/mol
Exact Mass134.10
IUPAC Name(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
SMILESCC(C)=C1C=CC(=[NH2+])C=C1
InChIInChI=1S/C9H11N/c1-7(2)8-3-5-9(10)6-4-8/h3-6,10H,1-2H3/p+1
InChIKeyGAOGNICKSLHIMI-UHFFFAOYSA-O
XLogP0.65
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium?
The IUPAC name of (4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium (CID 86016874) is (4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium.
What is the SMILES notation for (4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium?
The canonical SMILES for (4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium is CC(C)=C1C=CC(=[NH2+])C=C1.
What is the InChIKey of (4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium?
The InChIKey is GAOGNICKSLHIMI-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11N/c1-7(2)8-3-5-9(10)6-4-8/h3-6,10H,1-2H3/p+1.
What are the key properties of (4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium?
(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium has a molecular weight of 134.20 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium is sourced from PubChem (CID 86016874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).