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

C20H44ClNO — CID 175607509

IUPAC2-[heptadecyl(methyl)amino]ethanol;hydrochloride
SMILESCCCCCCCCCCCCCCCCCN(C)CCO.Cl
InChIInChI=1S/C20H43NO.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2)19-20-22;/h22H,3-20H2,1-2H3;1H
InChIKeyZVAWMDTVMZPVNY-UHFFFAOYSA-N
MW350.03 g/mol
LogP6.20
Rot. Bonds18

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

2-[heptadecyl(methyl)amino]ethanol;hydrochloride (PubChem CID 175607509) has the molecular formula C20H44ClNO and a molecular weight of 350.03 g/mol. Its IUPAC name is 2-[heptadecyl(methyl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[heptadecyl(methyl)amino]ethanol;hydrochloride
PubChem CID175607509
Molecular FormulaC20H44ClNO
Molecular Weight350.03 g/mol
Exact Mass349.31
IUPAC Name2-[heptadecyl(methyl)amino]ethanol;hydrochloride
SMILESCCCCCCCCCCCCCCCCCN(C)CCO.Cl
InChIInChI=1S/C20H43NO.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2)19-20-22;/h22H,3-20H2,1-2H3;1H
InChIKeyZVAWMDTVMZPVNY-UHFFFAOYSA-N
XLogP6.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.03
LogP ≤ 56.20
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-[methyl(undecyl)amino]ethanol;hydrochloride
CID 174969696
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-hexadecyl-N-methylicosan-1-amine
CID 21242596

Frequently Asked Questions

What is the IUPAC name of 2-[heptadecyl(methyl)amino]ethanol;hydrochloride?
The IUPAC name of 2-[heptadecyl(methyl)amino]ethanol;hydrochloride (CID 175607509) is 2-[heptadecyl(methyl)amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[heptadecyl(methyl)amino]ethanol;hydrochloride?
The canonical SMILES for 2-[heptadecyl(methyl)amino]ethanol;hydrochloride is CCCCCCCCCCCCCCCCCN(C)CCO.Cl.
What is the InChIKey of 2-[heptadecyl(methyl)amino]ethanol;hydrochloride?
The InChIKey is ZVAWMDTVMZPVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2)19-20-22;/h22H,3-20H2,1-2H3;1H.
What are the key properties of 2-[heptadecyl(methyl)amino]ethanol;hydrochloride?
2-[heptadecyl(methyl)amino]ethanol;hydrochloride has a molecular weight of 350.03 g/mol, XLogP of 6.20, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[heptadecyl(methyl)amino]ethanol;hydrochloride is sourced from PubChem (CID 175607509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).