trimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium

C10H20N+ — CID 118719170

IUPACtrimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium
SMILESCC1=CC[C@@H](C[N+](C)(C)C)C1
InChIInChI=1S/C10H20N/c1-9-5-6-10(7-9)8-11(2,3)4/h5,10H,6-8H2,1-4H3/q+1/t10-/m1/s1
InChIKeyVHJSNPMZXKUZOJ-SNVBAGLBSA-N
MW154.28 g/mol
LogP2.05
Rot. Bonds2

About trimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium

trimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium (PubChem CID 118719170) has the molecular formula C10H20N+ and a molecular weight of 154.28 g/mol. Its IUPAC name is trimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium
PubChem CID118719170
Molecular FormulaC10H20N+
Molecular Weight154.28 g/mol
Exact Mass154.16
IUPAC Nametrimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium
SMILESCC1=CC[C@@H](C[N+](C)(C)C)C1
InChIInChI=1S/C10H20N/c1-9-5-6-10(7-9)8-11(2,3)4/h5,10H,6-8H2,1-4H3/q+1/t10-/m1/s1
InChIKeyVHJSNPMZXKUZOJ-SNVBAGLBSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium?
The IUPAC name of trimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium (CID 118719170) is trimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium.
What is the SMILES notation for trimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium?
The canonical SMILES for trimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium is CC1=CC[C@@H](C[N+](C)(C)C)C1.
What is the InChIKey of trimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium?
The InChIKey is VHJSNPMZXKUZOJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20N/c1-9-5-6-10(7-9)8-11(2,3)4/h5,10H,6-8H2,1-4H3/q+1/t10-/m1/s1.
What are the key properties of trimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium?
trimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium has a molecular weight of 154.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium is sourced from PubChem (CID 118719170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).