1-decoxy-N-(1-decoxyethyl)ethanamine

C24H51NO2 — CID 173191939

IUPAC1-decoxy-N-(1-decoxyethyl)ethanamine
SMILESCCCCCCCCCCOC(C)NC(C)OCCCCCCCCCC
InChIInChI=1S/C24H51NO2/c1-5-7-9-11-13-15-17-19-21-26-23(3)25-24(4)27-22-20-18-16-14-12-10-8-6-2/h23-25H,5-22H2,1-4H3
InChIKeyDWKMGPXZXHDOCS-UHFFFAOYSA-N
MW385.68 g/mol
LogP7.58
Rot. Bonds22

About 1-decoxy-N-(1-decoxyethyl)ethanamine

1-decoxy-N-(1-decoxyethyl)ethanamine (PubChem CID 173191939) has the molecular formula C24H51NO2 and a molecular weight of 385.68 g/mol. Its IUPAC name is 1-decoxy-N-(1-decoxyethyl)ethanamine.

Molecular Properties

Compound Name1-decoxy-N-(1-decoxyethyl)ethanamine
PubChem CID173191939
Molecular FormulaC24H51NO2
Molecular Weight385.68 g/mol
Exact Mass385.39
IUPAC Name1-decoxy-N-(1-decoxyethyl)ethanamine
SMILESCCCCCCCCCCOC(C)NC(C)OCCCCCCCCCC
InChIInChI=1S/C24H51NO2/c1-5-7-9-11-13-15-17-19-21-26-23(3)25-24(4)27-22-20-18-16-14-12-10-8-6-2/h23-25H,5-22H2,1-4H3
InChIKeyDWKMGPXZXHDOCS-UHFFFAOYSA-N
XLogP7.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-1-hexoxyethanamine
CID 22450267
1-heptacontoxyethanol
CID 169098461
1-(1-fluoroethoxy)tridecane
CID 175410550
1-(difluoromethoxy)decane
CID 14400535
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
1-butoxy-N-methylethanamine;ethane
CID 144998639
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
1-hexan-2-yloxydecane
CID 57029724
1-octoxy-1-(propan-2-ylamino)propan-2-ol
CID 146571435

Frequently Asked Questions

What is the IUPAC name of 1-decoxy-N-(1-decoxyethyl)ethanamine?
The IUPAC name of 1-decoxy-N-(1-decoxyethyl)ethanamine (CID 173191939) is 1-decoxy-N-(1-decoxyethyl)ethanamine.
What is the SMILES notation for 1-decoxy-N-(1-decoxyethyl)ethanamine?
The canonical SMILES for 1-decoxy-N-(1-decoxyethyl)ethanamine is CCCCCCCCCCOC(C)NC(C)OCCCCCCCCCC.
What is the InChIKey of 1-decoxy-N-(1-decoxyethyl)ethanamine?
The InChIKey is DWKMGPXZXHDOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51NO2/c1-5-7-9-11-13-15-17-19-21-26-23(3)25-24(4)27-22-20-18-16-14-12-10-8-6-2/h23-25H,5-22H2,1-4H3.
What are the key properties of 1-decoxy-N-(1-decoxyethyl)ethanamine?
1-decoxy-N-(1-decoxyethyl)ethanamine has a molecular weight of 385.68 g/mol, XLogP of 7.58, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decoxy-N-(1-decoxyethyl)ethanamine is sourced from PubChem (CID 173191939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).