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

C18H30NO- — CID 122612017

IUPACN-oxido-N-(2-phenylethyl)decan-1-amine
SMILESCCCCCCCCCCN([O-])CCc1ccccc1
InChIInChI=1S/C18H30NO/c1-2-3-4-5-6-7-8-12-16-19(20)17-15-18-13-10-9-11-14-18/h9-11,13-14H,2-8,12,15-17H2,1H3/q-1
InChIKeyWYFWGNXIMYJCJS-UHFFFAOYSA-N
MW276.44 g/mol
LogP5.17
Rot. Bonds12

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

N-oxido-N-(2-phenylethyl)decan-1-amine (PubChem CID 122612017) has the molecular formula C18H30NO- and a molecular weight of 276.44 g/mol. Its IUPAC name is N-oxido-N-(2-phenylethyl)decan-1-amine.

Molecular Properties

Compound NameN-oxido-N-(2-phenylethyl)decan-1-amine
PubChem CID122612017
Molecular FormulaC18H30NO-
Molecular Weight276.44 g/mol
Exact Mass276.23
IUPAC NameN-oxido-N-(2-phenylethyl)decan-1-amine
SMILESCCCCCCCCCCN([O-])CCc1ccccc1
InChIInChI=1S/C18H30NO/c1-2-3-4-5-6-7-8-12-16-19(20)17-15-18-13-10-9-11-14-18/h9-11,13-14H,2-8,12,15-17H2,1H3/q-1
InChIKeyWYFWGNXIMYJCJS-UHFFFAOYSA-N
XLogP5.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.44
LogP ≤ 55.17
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

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CID 3014024
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Benzylhexadecyldimethylammonium chloride
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Benzyldimethylstearylammonium chloride
CID 31204
Benzyldimethyltetradecylammonium chloride
CID 8755
N,N-Dimethylphenylethylamine
CID 25125
Alverine
CID 3678
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CID 9513
Benzododecinium Bromide
CID 23705
(+-)-Selegiline
CID 5195

Frequently Asked Questions

What is the IUPAC name of N-oxido-N-(2-phenylethyl)decan-1-amine?
The IUPAC name of N-oxido-N-(2-phenylethyl)decan-1-amine (CID 122612017) is N-oxido-N-(2-phenylethyl)decan-1-amine.
What is the SMILES notation for N-oxido-N-(2-phenylethyl)decan-1-amine?
The canonical SMILES for N-oxido-N-(2-phenylethyl)decan-1-amine is CCCCCCCCCCN([O-])CCc1ccccc1.
What is the InChIKey of N-oxido-N-(2-phenylethyl)decan-1-amine?
The InChIKey is WYFWGNXIMYJCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30NO/c1-2-3-4-5-6-7-8-12-16-19(20)17-15-18-13-10-9-11-14-18/h9-11,13-14H,2-8,12,15-17H2,1H3/q-1.
What are the key properties of N-oxido-N-(2-phenylethyl)decan-1-amine?
N-oxido-N-(2-phenylethyl)decan-1-amine has a molecular weight of 276.44 g/mol, XLogP of 5.17, 12 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)decan-1-amine is sourced from PubChem (CID 122612017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).