[(4R)-4-hydroxypentyl]-trimethylazanium

C8H20NO+ — CID 24916842

IUPAC[(4R)-4-hydroxypentyl]-trimethylazanium
SMILESC[C@@H](O)CCC[N+](C)(C)C
InChIInChI=1S/C8H20NO/c1-8(10)6-5-7-9(2,3)4/h8,10H,5-7H2,1-4H3/q+1/t8-/m1/s1
InChIKeyHSBSNRZAOXKTSK-MRVPVSSYSA-N
MW146.25 g/mol
LogP0.85
Rot. Bonds4

About [(4R)-4-hydroxypentyl]-trimethylazanium

[(4R)-4-hydroxypentyl]-trimethylazanium (PubChem CID 24916842) has the molecular formula C8H20NO+ and a molecular weight of 146.25 g/mol. Its IUPAC name is [(4R)-4-hydroxypentyl]-trimethylazanium.

Molecular Properties

Compound Name[(4R)-4-hydroxypentyl]-trimethylazanium
PubChem CID24916842
Molecular FormulaC8H20NO+
Molecular Weight146.25 g/mol
Exact Mass146.15
IUPAC Name[(4R)-4-hydroxypentyl]-trimethylazanium
SMILESC[C@@H](O)CCC[N+](C)(C)C
InChIInChI=1S/C8H20NO/c1-8(10)6-5-7-9(2,3)4/h8,10H,5-7H2,1-4H3/q+1/t8-/m1/s1
InChIKeyHSBSNRZAOXKTSK-MRVPVSSYSA-N
XLogP0.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 50.85
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 [(4R)-4-hydroxypentyl]-trimethylazanium?
The IUPAC name of [(4R)-4-hydroxypentyl]-trimethylazanium (CID 24916842) is [(4R)-4-hydroxypentyl]-trimethylazanium.
What is the SMILES notation for [(4R)-4-hydroxypentyl]-trimethylazanium?
The canonical SMILES for [(4R)-4-hydroxypentyl]-trimethylazanium is C[C@@H](O)CCC[N+](C)(C)C.
What is the InChIKey of [(4R)-4-hydroxypentyl]-trimethylazanium?
The InChIKey is HSBSNRZAOXKTSK-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H20NO/c1-8(10)6-5-7-9(2,3)4/h8,10H,5-7H2,1-4H3/q+1/t8-/m1/s1.
What are the key properties of [(4R)-4-hydroxypentyl]-trimethylazanium?
[(4R)-4-hydroxypentyl]-trimethylazanium has a molecular weight of 146.25 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-hydroxypentyl]-trimethylazanium is sourced from PubChem (CID 24916842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).