2-[hexadecyl(iodo)amino]ethanol

C18H38INO — CID 174670309

IUPAC2-[hexadecyl(iodo)amino]ethanol
SMILESCCCCCCCCCCCCCCCCN(I)CCO
InChIInChI=1S/C18H38INO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(19)17-18-21/h21H,2-18H2,1H3
InChIKeyWDZIFEJYEYOWBS-UHFFFAOYSA-N
MW411.41 g/mol
LogP6.11
Rot. Bonds17

About 2-[hexadecyl(iodo)amino]ethanol

2-[hexadecyl(iodo)amino]ethanol (PubChem CID 174670309) has the molecular formula C18H38INO and a molecular weight of 411.41 g/mol. Its IUPAC name is 2-[hexadecyl(iodo)amino]ethanol.

Molecular Properties

Compound Name2-[hexadecyl(iodo)amino]ethanol
PubChem CID174670309
Molecular FormulaC18H38INO
Molecular Weight411.41 g/mol
Exact Mass411.20
IUPAC Name2-[hexadecyl(iodo)amino]ethanol
SMILESCCCCCCCCCCCCCCCCN(I)CCO
InChIInChI=1S/C18H38INO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(19)17-18-21/h21H,2-18H2,1H3
InChIKeyWDZIFEJYEYOWBS-UHFFFAOYSA-N
XLogP6.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.41
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethyl(octadecyl)amino]ethanol;hydrochloride
CID 22999610
2-[methyl(undecyl)amino]ethanol;hydrochloride
CID 174969696
2-[heptadecyl(methyl)amino]ethanol;hydrochloride
CID 175607509
N-butyl-N-iodobutan-1-amine
CID 19800845
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride
CID 167715204
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
2-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[hexadecyl(propyl)amino]ethanol
CID 18346925
2-[amino(hexyl)amino]ethanol
CID 174585549

Frequently Asked Questions

What is the IUPAC name of 2-[hexadecyl(iodo)amino]ethanol?
The IUPAC name of 2-[hexadecyl(iodo)amino]ethanol (CID 174670309) is 2-[hexadecyl(iodo)amino]ethanol.
What is the SMILES notation for 2-[hexadecyl(iodo)amino]ethanol?
The canonical SMILES for 2-[hexadecyl(iodo)amino]ethanol is CCCCCCCCCCCCCCCCN(I)CCO.
What is the InChIKey of 2-[hexadecyl(iodo)amino]ethanol?
The InChIKey is WDZIFEJYEYOWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38INO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(19)17-18-21/h21H,2-18H2,1H3.
What are the key properties of 2-[hexadecyl(iodo)amino]ethanol?
2-[hexadecyl(iodo)amino]ethanol has a molecular weight of 411.41 g/mol, XLogP of 6.11, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hexadecyl(iodo)amino]ethanol is sourced from PubChem (CID 174670309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).