(3-chloro-2-hydroxypropyl)-diethyl-propylazanium

C10H23ClNO+ — CID 21189248

IUPAC(3-chloro-2-hydroxypropyl)-diethyl-propylazanium
SMILESCCC[N+](CC)(CC)CC(O)CCl
InChIInChI=1S/C10H23ClNO/c1-4-7-12(5-2,6-3)9-10(13)8-11/h10,13H,4-9H2,1-3H3/q+1
InChIKeyJKXZAKAAPALLIP-UHFFFAOYSA-N
MW208.75 g/mol
LogP1.85
Rot. Bonds7

About (3-chloro-2-hydroxypropyl)-diethyl-propylazanium

(3-chloro-2-hydroxypropyl)-diethyl-propylazanium (PubChem CID 21189248) has the molecular formula C10H23ClNO+ and a molecular weight of 208.75 g/mol. Its IUPAC name is (3-chloro-2-hydroxypropyl)-diethyl-propylazanium.

Molecular Properties

Compound Name(3-chloro-2-hydroxypropyl)-diethyl-propylazanium
PubChem CID21189248
Molecular FormulaC10H23ClNO+
Molecular Weight208.75 g/mol
Exact Mass208.15
IUPAC Name(3-chloro-2-hydroxypropyl)-diethyl-propylazanium
SMILESCCC[N+](CC)(CC)CC(O)CCl
InChIInChI=1S/C10H23ClNO/c1-4-7-12(5-2,6-3)9-10(13)8-11/h10,13H,4-9H2,1-3H3/q+1
InChIKeyJKXZAKAAPALLIP-UHFFFAOYSA-N
XLogP1.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.75
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[(2R)-3-chloro-2-hydroxypropyl]-tripropylazanium chloride
CID 139248424
(3-chloro-2-hydroxypropyl)-diethyl-octadecylazanium
CID 21189265
(3-chloro-2-hydroxypropyl)-diethyl-pentadecylazanium chloride
CID 21189192
(3-chloro-2-hydroxypropyl)-ethyl-methyl-propylazanium chloride
CID 88794765
(3-chloro-2-hydroxypropyl)-tripentylazanium
CID 3026444
(3-chloro-2-hydroxypropyl)-diethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 3022464
(3-chloro-2-hydroxypropyl)-[4-[(3-chloro-2-hydroxypropyl)-dimethylazaniumyl]butyl]-dimethylazanium
CID 57185651
azane;(3-chloro-2-hydroxypropyl)-trimethylazanium;chloride;hydrochloride
CID 174761463
diethyl-bis(2-hydroxyoctadecyl)azanium
CID 87485122
2-carboxyethyl-diethyl-(2-hydroxyoctyl)azanium
CID 101276731
bis(3-chloro-2-hydroxypropyl)-bis(prop-2-enyl)azanium
CID 87240640
butyl-(carboxymethyl)-(3-chloro-2-hydroxypropyl)-methylazanium hydroxide
CID 19797983

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-hydroxypropyl)-diethyl-propylazanium?
The IUPAC name of (3-chloro-2-hydroxypropyl)-diethyl-propylazanium (CID 21189248) is (3-chloro-2-hydroxypropyl)-diethyl-propylazanium.
What is the SMILES notation for (3-chloro-2-hydroxypropyl)-diethyl-propylazanium?
The canonical SMILES for (3-chloro-2-hydroxypropyl)-diethyl-propylazanium is CCC[N+](CC)(CC)CC(O)CCl.
What is the InChIKey of (3-chloro-2-hydroxypropyl)-diethyl-propylazanium?
The InChIKey is JKXZAKAAPALLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23ClNO/c1-4-7-12(5-2,6-3)9-10(13)8-11/h10,13H,4-9H2,1-3H3/q+1.
What are the key properties of (3-chloro-2-hydroxypropyl)-diethyl-propylazanium?
(3-chloro-2-hydroxypropyl)-diethyl-propylazanium has a molecular weight of 208.75 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-hydroxypropyl)-diethyl-propylazanium is sourced from PubChem (CID 21189248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).