trimethyl-(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)azanium

C15H29N2+ — CID 140581409

IUPACtrimethyl-(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)azanium
SMILESC[N+](C)(C)C12CCC(N3CCCC3)(CC1)CC2
InChIInChI=1S/C15H29N2/c1-17(2,3)15-9-6-14(7-10-15,8-11-15)16-12-4-5-13-16/h4-13H2,1-3H3/q+1
InChIKeyRAMCFWQQVJNYDY-UHFFFAOYSA-N
MW237.41 g/mol
LogP2.63
Rot. Bonds2

About trimethyl-(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)azanium

trimethyl-(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)azanium (PubChem CID 140581409) has the molecular formula C15H29N2+ and a molecular weight of 237.41 g/mol. Its IUPAC name is trimethyl-(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)azanium.

Molecular Properties

Compound Nametrimethyl-(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)azanium
PubChem CID140581409
Molecular FormulaC15H29N2+
Molecular Weight237.41 g/mol
Exact Mass237.23
IUPAC Nametrimethyl-(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)azanium
SMILESC[N+](C)(C)C12CCC(N3CCCC3)(CC1)CC2
InChIInChI=1S/C15H29N2/c1-17(2,3)15-9-6-14(7-10-15,8-11-15)16-12-4-5-13-16/h4-13H2,1-3H3/q+1
InChIKeyRAMCFWQQVJNYDY-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)azanium?
The IUPAC name of trimethyl-(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)azanium (CID 140581409) is trimethyl-(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)azanium.
What is the SMILES notation for trimethyl-(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)azanium?
The canonical SMILES for trimethyl-(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)azanium is C[N+](C)(C)C12CCC(N3CCCC3)(CC1)CC2.
What is the InChIKey of trimethyl-(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)azanium?
The InChIKey is RAMCFWQQVJNYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N2/c1-17(2,3)15-9-6-14(7-10-15,8-11-15)16-12-4-5-13-16/h4-13H2,1-3H3/q+1.
What are the key properties of trimethyl-(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)azanium?
trimethyl-(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)azanium has a molecular weight of 237.41 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)azanium is sourced from PubChem (CID 140581409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).