(4,5-dimethylcyclopenta-1,4-dien-1-yl)-trimethylazanium

C10H18N+ — CID 174421081

IUPAC(4,5-dimethylcyclopenta-1,4-dien-1-yl)-trimethylazanium
SMILESCC1=C(C)C([N+](C)(C)C)=CC1
InChIInChI=1S/C10H18N/c1-8-6-7-10(9(8)2)11(3,4)5/h7H,6H2,1-5H3/q+1
InChIKeyDFDGSIXETKAFGB-UHFFFAOYSA-N
MW152.26 g/mol
LogP2.32
Rot. Bonds1

About (4,5-dimethylcyclopenta-1,4-dien-1-yl)-trimethylazanium

(4,5-dimethylcyclopenta-1,4-dien-1-yl)-trimethylazanium (PubChem CID 174421081) has the molecular formula C10H18N+ and a molecular weight of 152.26 g/mol. Its IUPAC name is (4,5-dimethylcyclopenta-1,4-dien-1-yl)-trimethylazanium.

Molecular Properties

Compound Name(4,5-dimethylcyclopenta-1,4-dien-1-yl)-trimethylazanium
PubChem CID174421081
Molecular FormulaC10H18N+
Molecular Weight152.26 g/mol
Exact Mass152.14
IUPAC Name(4,5-dimethylcyclopenta-1,4-dien-1-yl)-trimethylazanium
SMILESCC1=C(C)C([N+](C)(C)C)=CC1
InChIInChI=1S/C10H18N/c1-8-6-7-10(9(8)2)11(3,4)5/h7H,6H2,1-5H3/q+1
InChIKeyDFDGSIXETKAFGB-UHFFFAOYSA-N
XLogP2.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Pentalene, 1,3-bis(dimethylamino)-
CID 139825
Magnesidin
CID 139589189
Dimethylaminofulvene
CID 90007951
N,N,3-trimethyl-6-(trifluoromethyl)deca-2,4,6-trien-4-amine
CID 123265710
(2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole
CID 144831865
(3E,4E)-N-fluoro-N,5-dimethyl-3-propylidenehepta-1,4-dien-2-amine
CID 155001788
(2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole
CID 167047016
Diisopropylaminofulvene
CID 129814678
(3Z)-3-(2-fluoroprop-2-enylidene)-1,5-dimethyl-2-methylidenepyrrole
CID 144296542
1,3,4-Trimethyl-2,5-dimethylidenepyrrole
CID 18717194
N,N,5-trimethylcyclohexa-1,5-dien-1-amine
CID 20528984
1,2,3,5-Tetramethyl-6-methylidenepyridine
CID 20677150

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylcyclopenta-1,4-dien-1-yl)-trimethylazanium?
The IUPAC name of (4,5-dimethylcyclopenta-1,4-dien-1-yl)-trimethylazanium (CID 174421081) is (4,5-dimethylcyclopenta-1,4-dien-1-yl)-trimethylazanium.
What is the SMILES notation for (4,5-dimethylcyclopenta-1,4-dien-1-yl)-trimethylazanium?
The canonical SMILES for (4,5-dimethylcyclopenta-1,4-dien-1-yl)-trimethylazanium is CC1=C(C)C([N+](C)(C)C)=CC1.
What is the InChIKey of (4,5-dimethylcyclopenta-1,4-dien-1-yl)-trimethylazanium?
The InChIKey is DFDGSIXETKAFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N/c1-8-6-7-10(9(8)2)11(3,4)5/h7H,6H2,1-5H3/q+1.
What are the key properties of (4,5-dimethylcyclopenta-1,4-dien-1-yl)-trimethylazanium?
(4,5-dimethylcyclopenta-1,4-dien-1-yl)-trimethylazanium has a molecular weight of 152.26 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylcyclopenta-1,4-dien-1-yl)-trimethylazanium is sourced from PubChem (CID 174421081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).