triethyl-[[4-(1-hydroxycyclopentyl)phenyl]methyl]azanium

C18H30NO+ — CID 162504117

IUPACtriethyl-[[4-(1-hydroxycyclopentyl)phenyl]methyl]azanium
SMILESCC[N+](CC)(CC)Cc1ccc(C2(O)CCCC2)cc1
InChIInChI=1S/C18H30NO/c1-4-19(5-2,6-3)15-16-9-11-17(12-10-16)18(20)13-7-8-14-18/h9-12,20H,4-8,13-15H2,1-3H3/q+1
InChIKeyWLQQTMDCRSELBQ-UHFFFAOYSA-N
MW276.44 g/mol
LogP3.82
Rot. Bonds6

About triethyl-[[4-(1-hydroxycyclopentyl)phenyl]methyl]azanium

triethyl-[[4-(1-hydroxycyclopentyl)phenyl]methyl]azanium (PubChem CID 162504117) has the molecular formula C18H30NO+ and a molecular weight of 276.44 g/mol. Its IUPAC name is triethyl-[[4-(1-hydroxycyclopentyl)phenyl]methyl]azanium.

Molecular Properties

Compound Nametriethyl-[[4-(1-hydroxycyclopentyl)phenyl]methyl]azanium
PubChem CID162504117
Molecular FormulaC18H30NO+
Molecular Weight276.44 g/mol
Exact Mass276.23
IUPAC Nametriethyl-[[4-(1-hydroxycyclopentyl)phenyl]methyl]azanium
SMILESCC[N+](CC)(CC)Cc1ccc(C2(O)CCCC2)cc1
InChIInChI=1S/C18H30NO/c1-4-19(5-2,6-3)15-16-9-11-17(12-10-16)18(20)13-7-8-14-18/h9-12,20H,4-8,13-15H2,1-3H3/q+1
InChIKeyWLQQTMDCRSELBQ-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
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 triethyl-[[4-(1-hydroxycyclopentyl)phenyl]methyl]azanium?
The IUPAC name of triethyl-[[4-(1-hydroxycyclopentyl)phenyl]methyl]azanium (CID 162504117) is triethyl-[[4-(1-hydroxycyclopentyl)phenyl]methyl]azanium.
What is the SMILES notation for triethyl-[[4-(1-hydroxycyclopentyl)phenyl]methyl]azanium?
The canonical SMILES for triethyl-[[4-(1-hydroxycyclopentyl)phenyl]methyl]azanium is CC[N+](CC)(CC)Cc1ccc(C2(O)CCCC2)cc1.
What is the InChIKey of triethyl-[[4-(1-hydroxycyclopentyl)phenyl]methyl]azanium?
The InChIKey is WLQQTMDCRSELBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30NO/c1-4-19(5-2,6-3)15-16-9-11-17(12-10-16)18(20)13-7-8-14-18/h9-12,20H,4-8,13-15H2,1-3H3/q+1.
What are the key properties of triethyl-[[4-(1-hydroxycyclopentyl)phenyl]methyl]azanium?
triethyl-[[4-(1-hydroxycyclopentyl)phenyl]methyl]azanium has a molecular weight of 276.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[4-(1-hydroxycyclopentyl)phenyl]methyl]azanium is sourced from PubChem (CID 162504117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).