2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride

C12H30Cl2N2O — CID 167715204

IUPAC2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride
SMILESCCCCCCN(C)CCN(C)CCO.Cl.Cl
InChIInChI=1S/C12H28N2O.2ClH/c1-4-5-6-7-8-13(2)9-10-14(3)11-12-15;;/h15H,4-12H2,1-3H3;2*1H
InChIKeyKOBUJVJVKXZGRU-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.27
Rot. Bonds10

About 2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride

2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride (PubChem CID 167715204) has the molecular formula C12H30Cl2N2O and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride
PubChem CID167715204
Molecular FormulaC12H30Cl2N2O
Molecular Weight289.29 g/mol
Exact Mass288.17
IUPAC Name2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride
SMILESCCCCCCN(C)CCN(C)CCO.Cl.Cl
InChIInChI=1S/C12H28N2O.2ClH/c1-4-5-6-7-8-13(2)9-10-14(3)11-12-15;;/h15H,4-12H2,1-3H3;2*1H
InChIKeyKOBUJVJVKXZGRU-UHFFFAOYSA-N
XLogP2.27
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(undecyl)amino]ethanol;hydrochloride
CID 174969696
2-[heptadecyl(methyl)amino]ethanol;hydrochloride
CID 175607509
4-[methyl(octyl)amino]butan-1-ol
CID 87238675
N-hexadecyl-N-methylhexadecan-1-amine;hydrochloride
CID 71350597
N-butyl-N-methyldodecan-1-amine;hydrochloride
CID 86105258
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810

Frequently Asked Questions

What is the IUPAC name of 2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride?
The IUPAC name of 2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride (CID 167715204) is 2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride.
What is the SMILES notation for 2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride?
The canonical SMILES for 2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride is CCCCCCN(C)CCN(C)CCO.Cl.Cl.
What is the InChIKey of 2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride?
The InChIKey is KOBUJVJVKXZGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O.2ClH/c1-4-5-6-7-8-13(2)9-10-14(3)11-12-15;;/h15H,4-12H2,1-3H3;2*1H.
What are the key properties of 2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride?
2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride has a molecular weight of 289.29 g/mol, XLogP of 2.27, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride is sourced from PubChem (CID 167715204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).