ethyl-[3-[ethyl(methylaminomethyl)amino]-2-hydroxypropyl]-dimethylazanium

C11H28N3O+ — CID 20709166

IUPACethyl-[3-[ethyl(methylaminomethyl)amino]-2-hydroxypropyl]-dimethylazanium
SMILESCCN(CNC)CC(O)C[N+](C)(C)CC
InChIInChI=1S/C11H28N3O/c1-6-13(10-12-3)8-11(15)9-14(4,5)7-2/h11-12,15H,6-10H2,1-5H3/q+1
InChIKeyIRYPMODECFCGTI-UHFFFAOYSA-N
MW218.36 g/mol
LogP-0.06
Rot. Bonds8

About ethyl-[3-[ethyl(methylaminomethyl)amino]-2-hydroxypropyl]-dimethylazanium

ethyl-[3-[ethyl(methylaminomethyl)amino]-2-hydroxypropyl]-dimethylazanium (PubChem CID 20709166) has the molecular formula C11H28N3O+ and a molecular weight of 218.36 g/mol. Its IUPAC name is ethyl-[3-[ethyl(methylaminomethyl)amino]-2-hydroxypropyl]-dimethylazanium.

Molecular Properties

Compound Nameethyl-[3-[ethyl(methylaminomethyl)amino]-2-hydroxypropyl]-dimethylazanium
PubChem CID20709166
Molecular FormulaC11H28N3O+
Molecular Weight218.36 g/mol
Exact Mass218.22
IUPAC Nameethyl-[3-[ethyl(methylaminomethyl)amino]-2-hydroxypropyl]-dimethylazanium
SMILESCCN(CNC)CC(O)C[N+](C)(C)CC
InChIInChI=1S/C11H28N3O/c1-6-13(10-12-3)8-11(15)9-14(4,5)7-2/h11-12,15H,6-10H2,1-5H3/q+1
InChIKeyIRYPMODECFCGTI-UHFFFAOYSA-N
XLogP-0.06
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Hydroxyethyl-1,3,5,8,12-pentaazacyclotetradecane
CID 11081665
(2S)-1-[3-(dimethylamino)propylamino]propan-2-ol
CID 28380769
Diethylamino-2-butanol amine
CID 177746769
1-(Diethylamino)-3-(methylamino)propan-2-ol
CID 12700844
1-[3-(Dimethylamino)propylamino]propan-2-ol
CID 16641492
1-Amino-3-(dipropylamino)propan-2-ol
CID 16784882
1-[1-(Diethylamino)propyl-ethylamino]propan-2-ol
CID 17853710
1-[1-(Diethylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 17853715
1-[1-(Dimethylamino)propyl-methylamino]propan-2-ol
CID 17853719
1-[1-(Dimethylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 17853725
2,2-Bis(butylamino)ethanol
CID 18172892
1-(Diethylamino)-3-(propylamino)propan-2-ol
CID 20351557

Frequently Asked Questions

What is the IUPAC name of ethyl-[3-[ethyl(methylaminomethyl)amino]-2-hydroxypropyl]-dimethylazanium?
The IUPAC name of ethyl-[3-[ethyl(methylaminomethyl)amino]-2-hydroxypropyl]-dimethylazanium (CID 20709166) is ethyl-[3-[ethyl(methylaminomethyl)amino]-2-hydroxypropyl]-dimethylazanium.
What is the SMILES notation for ethyl-[3-[ethyl(methylaminomethyl)amino]-2-hydroxypropyl]-dimethylazanium?
The canonical SMILES for ethyl-[3-[ethyl(methylaminomethyl)amino]-2-hydroxypropyl]-dimethylazanium is CCN(CNC)CC(O)C[N+](C)(C)CC.
What is the InChIKey of ethyl-[3-[ethyl(methylaminomethyl)amino]-2-hydroxypropyl]-dimethylazanium?
The InChIKey is IRYPMODECFCGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N3O/c1-6-13(10-12-3)8-11(15)9-14(4,5)7-2/h11-12,15H,6-10H2,1-5H3/q+1.
What are the key properties of ethyl-[3-[ethyl(methylaminomethyl)amino]-2-hydroxypropyl]-dimethylazanium?
ethyl-[3-[ethyl(methylaminomethyl)amino]-2-hydroxypropyl]-dimethylazanium has a molecular weight of 218.36 g/mol, XLogP of -0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[3-[ethyl(methylaminomethyl)amino]-2-hydroxypropyl]-dimethylazanium is sourced from PubChem (CID 20709166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).