1-decoxy-N-ethylundecan-1-amine

C23H49NO — CID 172700916

IUPAC1-decoxy-N-ethylundecan-1-amine
SMILESCCCCCCCCCCOC(CCCCCCCCCC)NCC
InChIInChI=1S/C23H49NO/c1-4-7-9-11-13-15-17-19-21-23(24-6-3)25-22-20-18-16-14-12-10-8-5-2/h23-24H,4-22H2,1-3H3
InChIKeyIRVKZRQJVZZPCD-UHFFFAOYSA-N
MW355.65 g/mol
LogP7.61
Rot. Bonds21

About 1-decoxy-N-ethylundecan-1-amine

1-decoxy-N-ethylundecan-1-amine (PubChem CID 172700916) has the molecular formula C23H49NO and a molecular weight of 355.65 g/mol. Its IUPAC name is 1-decoxy-N-ethylundecan-1-amine.

Molecular Properties

Compound Name1-decoxy-N-ethylundecan-1-amine
PubChem CID172700916
Molecular FormulaC23H49NO
Molecular Weight355.65 g/mol
Exact Mass355.38
IUPAC Name1-decoxy-N-ethylundecan-1-amine
SMILESCCCCCCCCCCOC(CCCCCCCCCC)NCC
InChIInChI=1S/C23H49NO/c1-4-7-9-11-13-15-17-19-21-23(24-6-3)25-22-20-18-16-14-12-10-8-5-2/h23-24H,4-22H2,1-3H3
InChIKeyIRVKZRQJVZZPCD-UHFFFAOYSA-N
XLogP7.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.65
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-pentoxydecan-1-amine
CID 172707813
N-butyl-1-pentoxybutan-1-amine
CID 88850312
N-ethyl-1-hexoxyethanamine
CID 22450267
1-decoxy-N-propylpropan-1-amine
CID 173331192
1-(ethylamino)heptyl hydrogen carbonate
CID 88667707
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
N-ethyltetradecan-7-amine
CID 87847195

Frequently Asked Questions

What is the IUPAC name of 1-decoxy-N-ethylundecan-1-amine?
The IUPAC name of 1-decoxy-N-ethylundecan-1-amine (CID 172700916) is 1-decoxy-N-ethylundecan-1-amine.
What is the SMILES notation for 1-decoxy-N-ethylundecan-1-amine?
The canonical SMILES for 1-decoxy-N-ethylundecan-1-amine is CCCCCCCCCCOC(CCCCCCCCCC)NCC.
What is the InChIKey of 1-decoxy-N-ethylundecan-1-amine?
The InChIKey is IRVKZRQJVZZPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49NO/c1-4-7-9-11-13-15-17-19-21-23(24-6-3)25-22-20-18-16-14-12-10-8-5-2/h23-24H,4-22H2,1-3H3.
What are the key properties of 1-decoxy-N-ethylundecan-1-amine?
1-decoxy-N-ethylundecan-1-amine has a molecular weight of 355.65 g/mol, XLogP of 7.61, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decoxy-N-ethylundecan-1-amine is sourced from PubChem (CID 172700916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).