3-hexoxypropyl(oxido)azanium

C9H21NO2 — CID 139977225

IUPAC3-hexoxypropyl(oxido)azanium
SMILESCCCCCCOCCC[NH2+][O-]
InChIInChI=1S/C9H21NO2/c1-2-3-4-5-8-12-9-6-7-10-11/h2-10H2,1H3
InChIKeyDEQRYJWTYAYCSS-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.03
Rot. Bonds9

About 3-hexoxypropyl(oxido)azanium

3-hexoxypropyl(oxido)azanium (PubChem CID 139977225) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-hexoxypropyl(oxido)azanium.

Molecular Properties

Compound Name3-hexoxypropyl(oxido)azanium
PubChem CID139977225
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3-hexoxypropyl(oxido)azanium
SMILESCCCCCCOCCC[NH2+][O-]
InChIInChI=1S/C9H21NO2/c1-2-3-4-5-8-12-9-6-7-10-11/h2-10H2,1H3
InChIKeyDEQRYJWTYAYCSS-UHFFFAOYSA-N
XLogP1.03
TPSA48.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dotriacontyl(oxido)azanium
CID 141095067
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-(2-decoxyethoxy)decane
CID 14009354
1-decoxydecane;hydrochloride
CID 172747457
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381

Frequently Asked Questions

What is the IUPAC name of 3-hexoxypropyl(oxido)azanium?
The IUPAC name of 3-hexoxypropyl(oxido)azanium (CID 139977225) is 3-hexoxypropyl(oxido)azanium.
What is the SMILES notation for 3-hexoxypropyl(oxido)azanium?
The canonical SMILES for 3-hexoxypropyl(oxido)azanium is CCCCCCOCCC[NH2+][O-].
What is the InChIKey of 3-hexoxypropyl(oxido)azanium?
The InChIKey is DEQRYJWTYAYCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-2-3-4-5-8-12-9-6-7-10-11/h2-10H2,1H3.
What are the key properties of 3-hexoxypropyl(oxido)azanium?
3-hexoxypropyl(oxido)azanium has a molecular weight of 175.27 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxypropyl(oxido)azanium is sourced from PubChem (CID 139977225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).