(2-hydroxy-1-pentoxypropyl)-trimethylazanium

C11H26NO2+ — CID 174548714

IUPAC(2-hydroxy-1-pentoxypropyl)-trimethylazanium
SMILESCCCCCOC(C(C)O)[N+](C)(C)C
InChIInChI=1S/C11H26NO2/c1-6-7-8-9-14-11(10(2)13)12(3,4)5/h10-11,13H,6-9H2,1-5H3/q+1
InChIKeyPYCBXZXZLKRIIR-UHFFFAOYSA-N
MW204.33 g/mol
LogP1.61
Rot. Bonds7

About (2-hydroxy-1-pentoxypropyl)-trimethylazanium

(2-hydroxy-1-pentoxypropyl)-trimethylazanium (PubChem CID 174548714) has the molecular formula C11H26NO2+ and a molecular weight of 204.33 g/mol. Its IUPAC name is (2-hydroxy-1-pentoxypropyl)-trimethylazanium.

Molecular Properties

Compound Name(2-hydroxy-1-pentoxypropyl)-trimethylazanium
PubChem CID174548714
Molecular FormulaC11H26NO2+
Molecular Weight204.33 g/mol
Exact Mass204.20
IUPAC Name(2-hydroxy-1-pentoxypropyl)-trimethylazanium
SMILESCCCCCOC(C(C)O)[N+](C)(C)C
InChIInChI=1S/C11H26NO2/c1-6-7-8-9-14-11(10(2)13)12(3,4)5/h10-11,13H,6-9H2,1-5H3/q+1
InChIKeyPYCBXZXZLKRIIR-UHFFFAOYSA-N
XLogP1.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (2-hydroxy-1-pentoxypropyl)-trimethylazanium 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

1-pentoxyethanol
CID 19598527
trimethyl(1-tetradecoxyethyl)azanium
CID 19964252
trimethyl(1-tridecoxyethyl)azanium
CID 19964271
(2R,3R)-3-octoxybutan-2-ol
CID 54496266
1-heptacontoxyethanol
CID 169098461
1,2-bis(octadec-9-enoxy)propyl-trimethylazanium chloride
CID 173005049
1-amino-1-octoxypropan-2-ol
CID 174604466
icosoxymethanediol
CID 175975847
ethyl-(2-hydroxy-2-pentoxyethyl)-dimethylazanium
CID 175240899
1,2-di(tetradecoxy)propyl-[1-[1,2-di(tetradecoxy)propyl-dipropoxyazaniumyl]-2-hydroxypropyl]-dipropoxyazanium dibromide
CID 87817686
dimethyl-bis(1-octadecoxyethyl)azanium chloride
CID 19357529
1-(1-hexoxyethoxy)ethanol
CID 22559456

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-1-pentoxypropyl)-trimethylazanium?
The IUPAC name of (2-hydroxy-1-pentoxypropyl)-trimethylazanium (CID 174548714) is (2-hydroxy-1-pentoxypropyl)-trimethylazanium.
What is the SMILES notation for (2-hydroxy-1-pentoxypropyl)-trimethylazanium?
The canonical SMILES for (2-hydroxy-1-pentoxypropyl)-trimethylazanium is CCCCCOC(C(C)O)[N+](C)(C)C.
What is the InChIKey of (2-hydroxy-1-pentoxypropyl)-trimethylazanium?
The InChIKey is PYCBXZXZLKRIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26NO2/c1-6-7-8-9-14-11(10(2)13)12(3,4)5/h10-11,13H,6-9H2,1-5H3/q+1.
What are the key properties of (2-hydroxy-1-pentoxypropyl)-trimethylazanium?
(2-hydroxy-1-pentoxypropyl)-trimethylazanium has a molecular weight of 204.33 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-1-pentoxypropyl)-trimethylazanium is sourced from PubChem (CID 174548714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).