N-oxido-N-(2-phenylethyl)icosan-1-amine

C28H50NO- — CID 122612786

IUPACN-oxido-N-(2-phenylethyl)icosan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCN([O-])CCc1ccccc1
InChIInChI=1S/C28H50NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-29(30)27-25-28-23-20-19-21-24-28/h19-21,23-24H,2-18,22,25-27H2,1H3/q-1
InChIKeyNRBLSMCRQCIBEK-UHFFFAOYSA-N
MW416.71 g/mol
LogP9.07
Rot. Bonds22

About N-oxido-N-(2-phenylethyl)icosan-1-amine

N-oxido-N-(2-phenylethyl)icosan-1-amine (PubChem CID 122612786) has the molecular formula C28H50NO- and a molecular weight of 416.71 g/mol. Its IUPAC name is N-oxido-N-(2-phenylethyl)icosan-1-amine.

Molecular Properties

Compound NameN-oxido-N-(2-phenylethyl)icosan-1-amine
PubChem CID122612786
Molecular FormulaC28H50NO-
Molecular Weight416.71 g/mol
Exact Mass416.39
IUPAC NameN-oxido-N-(2-phenylethyl)icosan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCN([O-])CCc1ccccc1
InChIInChI=1S/C28H50NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-29(30)27-25-28-23-20-19-21-24-28/h19-21,23-24H,2-18,22,25-27H2,1H3/q-1
InChIKeyNRBLSMCRQCIBEK-UHFFFAOYSA-N
XLogP9.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.71
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-oxido-N-(2-phenylethyl)decan-1-amine
CID 122612017
N-ethyl-N-(2-phenylethyl)heptan-1-amine
CID 59678043
N,N-dihexyl-12-phenyldodecan-1-amine
CID 158185325
N-octyl-N-(5-phenylpentyl)octan-1-amine
CID 175488392
octacosylbenzene
CID 14228596
octylbenzene
CID 16607
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
N-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride
CID 174059369
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041

Frequently Asked Questions

What is the IUPAC name of N-oxido-N-(2-phenylethyl)icosan-1-amine?
The IUPAC name of N-oxido-N-(2-phenylethyl)icosan-1-amine (CID 122612786) is N-oxido-N-(2-phenylethyl)icosan-1-amine.
What is the SMILES notation for N-oxido-N-(2-phenylethyl)icosan-1-amine?
The canonical SMILES for N-oxido-N-(2-phenylethyl)icosan-1-amine is CCCCCCCCCCCCCCCCCCCCN([O-])CCc1ccccc1.
What is the InChIKey of N-oxido-N-(2-phenylethyl)icosan-1-amine?
The InChIKey is NRBLSMCRQCIBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-29(30)27-25-28-23-20-19-21-24-28/h19-21,23-24H,2-18,22,25-27H2,1H3/q-1.
What are the key properties of N-oxido-N-(2-phenylethyl)icosan-1-amine?
N-oxido-N-(2-phenylethyl)icosan-1-amine has a molecular weight of 416.71 g/mol, XLogP of 9.07, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxido-N-(2-phenylethyl)icosan-1-amine is sourced from PubChem (CID 122612786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).