[3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium bromide

C10H22BrNO — CID 19377317

IUPAC[3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium bromide
SMILESC[N+](C)(C)C1CCC(CCO)C1.[Br-]
InChIInChI=1S/C10H22NO.BrH/c1-11(2,3)10-5-4-9(8-10)6-7-12;/h9-10,12H,4-8H2,1-3H3;1H/q+1;/p-1
InChIKeyJEOHBYAYRSCXBG-UHFFFAOYSA-M
MW252.20 g/mol
LogP-1.75
Rot. Bonds3

About [3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium bromide

[3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium bromide (PubChem CID 19377317) has the molecular formula C10H22BrNO and a molecular weight of 252.20 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium bromide.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium bromide
PubChem CID19377317
Molecular FormulaC10H22BrNO
Molecular Weight252.20 g/mol
Exact Mass251.09
IUPAC Name[3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium bromide
SMILESC[N+](C)(C)C1CCC(CCO)C1.[Br-]
InChIInChI=1S/C10H22NO.BrH/c1-11(2,3)10-5-4-9(8-10)6-7-12;/h9-10,12H,4-8H2,1-3H3;1H/q+1;/p-1
InChIKeyJEOHBYAYRSCXBG-UHFFFAOYSA-M
XLogP-1.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 5-1.75
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 [3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium bromide?
The IUPAC name of [3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium bromide (CID 19377317) is [3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium bromide.
What is the SMILES notation for [3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium bromide?
The canonical SMILES for [3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium bromide is C[N+](C)(C)C1CCC(CCO)C1.[Br-].
What is the InChIKey of [3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium bromide?
The InChIKey is JEOHBYAYRSCXBG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H22NO.BrH/c1-11(2,3)10-5-4-9(8-10)6-7-12;/h9-10,12H,4-8H2,1-3H3;1H/q+1;/p-1.
What are the key properties of [3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium bromide?
[3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium bromide has a molecular weight of 252.20 g/mol, XLogP of -1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium bromide is sourced from PubChem (CID 19377317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).