trimethyl-(1-methylcyclopenta-2,4-dien-1-yl)azanium

C9H16N+ — CID 160543489

IUPACtrimethyl-(1-methylcyclopenta-2,4-dien-1-yl)azanium
SMILESCC1([N+](C)(C)C)C=CC=C1
InChIInChI=1S/C9H16N/c1-9(10(2,3)4)7-5-6-8-9/h5-8H,1-4H3/q+1
InChIKeyZIRMHBPRINSXRT-UHFFFAOYSA-N
MW138.23 g/mol
LogP1.58
Rot. Bonds1

About trimethyl-(1-methylcyclopenta-2,4-dien-1-yl)azanium

trimethyl-(1-methylcyclopenta-2,4-dien-1-yl)azanium (PubChem CID 160543489) has the molecular formula C9H16N+ and a molecular weight of 138.23 g/mol. Its IUPAC name is trimethyl-(1-methylcyclopenta-2,4-dien-1-yl)azanium.

Molecular Properties

Compound Nametrimethyl-(1-methylcyclopenta-2,4-dien-1-yl)azanium
PubChem CID160543489
Molecular FormulaC9H16N+
Molecular Weight138.23 g/mol
Exact Mass138.13
IUPAC Nametrimethyl-(1-methylcyclopenta-2,4-dien-1-yl)azanium
SMILESCC1([N+](C)(C)C)C=CC=C1
InChIInChI=1S/C9H16N/c1-9(10(2,3)4)7-5-6-8-9/h5-8H,1-4H3/q+1
InChIKeyZIRMHBPRINSXRT-UHFFFAOYSA-N
XLogP1.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 51.58
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

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CID 129647855
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CID 18957337
1,2,2,5,5-Pentamethylpyrrole
CID 22946773
N,N,4,5-tetramethylhexa-2,4-dien-1-amine
CID 53903817
N,N,2,4-tetramethylpent-3-en-2-amine
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(2E,4E)-N,N,3-trimethylhexa-2,4-dien-1-amine
CID 58885299
1-Tert-butyl-2,5-dimethyl-2,5-dihydropyrrole
CID 59603290
(2Z,4E,6Z)-N,N-dimethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-amine
CID 87415404
penta-1,3-diene;ruthenium(2+);1,3,4,5-tetramethyl-2H-pyrrol-2-ide
CID 87511910
lithium 2-cyclopenta-1,4-dien-1-yl-N,N-dimethylpropan-2-amine
CID 88223235
(3Z,5Z,7Z,9Z)-N,N,2,6-tetramethylundeca-1,3,5,7,9-pentaen-5-amine
CID 88565366

Frequently Asked Questions

What is the IUPAC name of trimethyl-(1-methylcyclopenta-2,4-dien-1-yl)azanium?
The IUPAC name of trimethyl-(1-methylcyclopenta-2,4-dien-1-yl)azanium (CID 160543489) is trimethyl-(1-methylcyclopenta-2,4-dien-1-yl)azanium.
What is the SMILES notation for trimethyl-(1-methylcyclopenta-2,4-dien-1-yl)azanium?
The canonical SMILES for trimethyl-(1-methylcyclopenta-2,4-dien-1-yl)azanium is CC1([N+](C)(C)C)C=CC=C1.
What is the InChIKey of trimethyl-(1-methylcyclopenta-2,4-dien-1-yl)azanium?
The InChIKey is ZIRMHBPRINSXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N/c1-9(10(2,3)4)7-5-6-8-9/h5-8H,1-4H3/q+1.
What are the key properties of trimethyl-(1-methylcyclopenta-2,4-dien-1-yl)azanium?
trimethyl-(1-methylcyclopenta-2,4-dien-1-yl)azanium has a molecular weight of 138.23 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(1-methylcyclopenta-2,4-dien-1-yl)azanium is sourced from PubChem (CID 160543489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).