4-hydroxypentyl(trimethyl)azanium

C8H20NO+ — CID 3026687

IUPAC4-hydroxypentyl(trimethyl)azanium
SMILESCC(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
InChIKeyHSBSNRZAOXKTSK-UHFFFAOYSA-N
MW146.25 g/mol
LogP0.85
Rot. Bonds4

About 4-hydroxypentyl(trimethyl)azanium

4-hydroxypentyl(trimethyl)azanium (PubChem CID 3026687) has the molecular formula C8H20NO+ and a molecular weight of 146.25 g/mol. Its IUPAC name is 4-hydroxypentyl(trimethyl)azanium.

Molecular Properties

Compound Name4-hydroxypentyl(trimethyl)azanium
PubChem CID3026687
Molecular FormulaC8H20NO+
Molecular Weight146.25 g/mol
Exact Mass146.15
IUPAC Name4-hydroxypentyl(trimethyl)azanium
SMILESCC(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
InChIKeyHSBSNRZAOXKTSK-UHFFFAOYSA-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'}

Analyze 4-hydroxypentyl(trimethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Diethylamino-2-pentanol
CID 95388
1-Butanol, 4-dipropylamino-
CID 144402
4-(Diethylamino)butan-1-ol
CID 75894
1-Butylpiperidin-3-ol
CID 98962
(4r)-4-Hydroxy-N,N,N-Trimethylpentan-1-Aminium
CID 24916842
(4-Hydroxy-butyl)-trimethyl-ammonium
CID 3082058
1-Propyl-3-piperidinol
CID 15105446
4-di-n-Butylaminobutanol-1
CID 296350
pentane, 1-(N-2-hydroxybutyl-N-2-hydroxyethyl)amino-
CID 23423724
pentane, 1-(N-2-hydroxybutyl-N-2-hydroxypropyl)amino-
CID 23423726
Pentane, 1-(bis-2-hydroxybutyl)amino-
CID 23423727
(2R,4S)-4-(diethylamino)pentan-2-ol
CID 134905516

Frequently Asked Questions

What is the IUPAC name of 4-hydroxypentyl(trimethyl)azanium?
The IUPAC name of 4-hydroxypentyl(trimethyl)azanium (CID 3026687) is 4-hydroxypentyl(trimethyl)azanium.
What is the SMILES notation for 4-hydroxypentyl(trimethyl)azanium?
The canonical SMILES for 4-hydroxypentyl(trimethyl)azanium is CC(O)CCC[N+](C)(C)C.
What is the InChIKey of 4-hydroxypentyl(trimethyl)azanium?
The InChIKey is HSBSNRZAOXKTSK-UHFFFAOYSA-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.
What are the key properties of 4-hydroxypentyl(trimethyl)azanium?
4-hydroxypentyl(trimethyl)azanium 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 4-hydroxypentyl(trimethyl)azanium is sourced from PubChem (CID 3026687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).