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

C10H22NO+ — CID 19377318

IUPAC[3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium
SMILESC[N+](C)(C)C1CCC(CCO)C1
InChIInChI=1S/C10H22NO/c1-11(2,3)10-5-4-9(8-10)6-7-12/h9-10,12H,4-8H2,1-3H3/q+1
InChIKeyNFGVHFBXNIZNCQ-UHFFFAOYSA-N
MW172.29 g/mol
LogP1.24
Rot. Bonds3

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

[3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium (PubChem CID 19377318) has the molecular formula C10H22NO+ and a molecular weight of 172.29 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium
PubChem CID19377318
Molecular FormulaC10H22NO+
Molecular Weight172.29 g/mol
Exact Mass172.17
IUPAC Name[3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium
SMILESC[N+](C)(C)C1CCC(CCO)C1
InChIInChI=1S/C10H22NO/c1-11(2,3)10-5-4-9(8-10)6-7-12/h9-10,12H,4-8H2,1-3H3/q+1
InChIKeyNFGVHFBXNIZNCQ-UHFFFAOYSA-N
XLogP1.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 51.24
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?
The IUPAC name of [3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium (CID 19377318) is [3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium.
What is the SMILES notation for [3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium?
The canonical SMILES for [3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium is C[N+](C)(C)C1CCC(CCO)C1.
What is the InChIKey of [3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium?
The InChIKey is NFGVHFBXNIZNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO/c1-11(2,3)10-5-4-9(8-10)6-7-12/h9-10,12H,4-8H2,1-3H3/q+1.
What are the key properties of [3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium?
[3-(2-hydroxyethyl)cyclopentyl]-trimethylazanium has a molecular weight of 172.29 g/mol, XLogP of 1.24, 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 is sourced from PubChem (CID 19377318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).