dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium

C15H25N2+ — CID 159526179

IUPACdimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium
SMILESCNC1=C(C)C(=[N+](C)C)C(C)=C(C)C1=C(C)C
InChIInChI=1S/C15H24N2/c1-9(2)13-10(3)11(4)15(17(7)8)12(5)14(13)16-6/h1-8H3/p+1
InChIKeyBESLYFYKAFQXFB-UHFFFAOYSA-O
MW233.38 g/mol
LogP2.88
Rot. Bonds1

About dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium

dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium (PubChem CID 159526179) has the molecular formula C15H25N2+ and a molecular weight of 233.38 g/mol. Its IUPAC name is dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium.

Molecular Properties

Compound Namedimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium
PubChem CID159526179
Molecular FormulaC15H25N2+
Molecular Weight233.38 g/mol
Exact Mass233.20
IUPAC Namedimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium
SMILESCNC1=C(C)C(=[N+](C)C)C(C)=C(C)C1=C(C)C
InChIInChI=1S/C15H24N2/c1-9(2)13-10(3)11(4)15(17(7)8)12(5)14(13)16-6/h1-8H3/p+1
InChIKeyBESLYFYKAFQXFB-UHFFFAOYSA-O
XLogP2.88
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium?
The IUPAC name of dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium (CID 159526179) is dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium.
What is the SMILES notation for dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium?
The canonical SMILES for dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium is CNC1=C(C)C(=[N+](C)C)C(C)=C(C)C1=C(C)C.
What is the InChIKey of dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium?
The InChIKey is BESLYFYKAFQXFB-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H24N2/c1-9(2)13-10(3)11(4)15(17(7)8)12(5)14(13)16-6/h1-8H3/p+1.
What are the key properties of dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium?
dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium has a molecular weight of 233.38 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium is sourced from PubChem (CID 159526179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).