2-[methyl(undecyl)amino]ethanol;hydrochloride

C14H32ClNO — CID 174969696

IUPAC2-[methyl(undecyl)amino]ethanol;hydrochloride
SMILESCCCCCCCCCCCN(C)CCO.Cl
InChIInChI=1S/C14H31NO.ClH/c1-3-4-5-6-7-8-9-10-11-12-15(2)13-14-16;/h16H,3-14H2,1-2H3;1H
InChIKeyLEISIMKKIZOZEV-UHFFFAOYSA-N
MW265.87 g/mol
LogP3.86
Rot. Bonds12

About 2-[methyl(undecyl)amino]ethanol;hydrochloride

2-[methyl(undecyl)amino]ethanol;hydrochloride (PubChem CID 174969696) has the molecular formula C14H32ClNO and a molecular weight of 265.87 g/mol. Its IUPAC name is 2-[methyl(undecyl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[methyl(undecyl)amino]ethanol;hydrochloride
PubChem CID174969696
Molecular FormulaC14H32ClNO
Molecular Weight265.87 g/mol
Exact Mass265.22
IUPAC Name2-[methyl(undecyl)amino]ethanol;hydrochloride
SMILESCCCCCCCCCCCN(C)CCO.Cl
InChIInChI=1S/C14H31NO.ClH/c1-3-4-5-6-7-8-9-10-11-12-15(2)13-14-16;/h16H,3-14H2,1-2H3;1H
InChIKeyLEISIMKKIZOZEV-UHFFFAOYSA-N
XLogP3.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.87
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[heptadecyl(methyl)amino]ethanol;hydrochloride
CID 175607509
2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride
CID 167715204
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-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(undecyl)amino]ethanol;hydrochloride?
The IUPAC name of 2-[methyl(undecyl)amino]ethanol;hydrochloride (CID 174969696) is 2-[methyl(undecyl)amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[methyl(undecyl)amino]ethanol;hydrochloride?
The canonical SMILES for 2-[methyl(undecyl)amino]ethanol;hydrochloride is CCCCCCCCCCCN(C)CCO.Cl.
What is the InChIKey of 2-[methyl(undecyl)amino]ethanol;hydrochloride?
The InChIKey is LEISIMKKIZOZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO.ClH/c1-3-4-5-6-7-8-9-10-11-12-15(2)13-14-16;/h16H,3-14H2,1-2H3;1H.
What are the key properties of 2-[methyl(undecyl)amino]ethanol;hydrochloride?
2-[methyl(undecyl)amino]ethanol;hydrochloride has a molecular weight of 265.87 g/mol, XLogP of 3.86, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(undecyl)amino]ethanol;hydrochloride is sourced from PubChem (CID 174969696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).