2-hexadecoxy-N-(2-hexadecoxyethyl)ethanamine

C36H75NO2 — CID 89427424

IUPAC2-hexadecoxy-N-(2-hexadecoxyethyl)ethanamine
SMILESCCCCCCCCCCCCCCCCOCCNCCOCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H75NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-38-35-31-37-32-36-39-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3
InChIKeyIOYMDCOGNBPTBK-UHFFFAOYSA-N
MW554.00 g/mol
LogP11.57
Rot. Bonds36

About 2-hexadecoxy-N-(2-hexadecoxyethyl)ethanamine

2-hexadecoxy-N-(2-hexadecoxyethyl)ethanamine (PubChem CID 89427424) has the molecular formula C36H75NO2 and a molecular weight of 554.00 g/mol. Its IUPAC name is 2-hexadecoxy-N-(2-hexadecoxyethyl)ethanamine.

Molecular Properties

Compound Name2-hexadecoxy-N-(2-hexadecoxyethyl)ethanamine
PubChem CID89427424
Molecular FormulaC36H75NO2
Molecular Weight554.00 g/mol
Exact Mass553.58
IUPAC Name2-hexadecoxy-N-(2-hexadecoxyethyl)ethanamine
SMILESCCCCCCCCCCCCCCCCOCCNCCOCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H75NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-38-35-31-37-32-36-39-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3
InChIKeyIOYMDCOGNBPTBK-UHFFFAOYSA-N
XLogP11.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds36
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.00
LogP ≤ 511.57
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

Bis-(2-decyloxy-ethyl)-amine
CID 6421831
Bis(2-octyloxyethyl)amine
CID 14205548
2-nonoxy-N-(2-nonoxyethyl)ethanamine
CID 14205552
Bis(2-hexyloxyethyl)amine
CID 37981521
Bis-(2-lauroxyethyl)amine
CID 54064228
2-tetradecoxy-N-(2-tetradecoxyethyl)ethanamine
CID 88888821
N-(fluoromethyl)-2-octoxyethanamine
CID 140226316
Methyl(2-octyloxyethyl)amine
CID 4249090
2-dodecoxy-N-methylethanamine
CID 55187666
n-Decylcryptand
CID 85587026
Dodecyloxyathyldimethylammoniumbromid
CID 129635541
N-methyl-(2-dodecyloxy)eth-ylamine
CID 129727199

Frequently Asked Questions

What is the IUPAC name of 2-hexadecoxy-N-(2-hexadecoxyethyl)ethanamine?
The IUPAC name of 2-hexadecoxy-N-(2-hexadecoxyethyl)ethanamine (CID 89427424) is 2-hexadecoxy-N-(2-hexadecoxyethyl)ethanamine.
What is the SMILES notation for 2-hexadecoxy-N-(2-hexadecoxyethyl)ethanamine?
The canonical SMILES for 2-hexadecoxy-N-(2-hexadecoxyethyl)ethanamine is CCCCCCCCCCCCCCCCOCCNCCOCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-hexadecoxy-N-(2-hexadecoxyethyl)ethanamine?
The InChIKey is IOYMDCOGNBPTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H75NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-38-35-31-37-32-36-39-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3.
What are the key properties of 2-hexadecoxy-N-(2-hexadecoxyethyl)ethanamine?
2-hexadecoxy-N-(2-hexadecoxyethyl)ethanamine has a molecular weight of 554.00 g/mol, XLogP of 11.57, 36 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecoxy-N-(2-hexadecoxyethyl)ethanamine is sourced from PubChem (CID 89427424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).