azane;1-decoxydecane

C20H48N2O — CID 87410134

IUPACazane;1-decoxydecane
SMILESCCCCCCCCCCOCCCCCCCCCC.N.N
InChIInChI=1S/C20H42O.2H3N/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;;/h3-20H2,1-2H3;2*1H3
InChIKeyLEBGJNCJKDGQRT-UHFFFAOYSA-N
MW332.62 g/mol
LogP7.61
Rot. Bonds18

About azane;1-decoxydecane

azane;1-decoxydecane (PubChem CID 87410134) has the molecular formula C20H48N2O and a molecular weight of 332.62 g/mol. Its IUPAC name is azane;1-decoxydecane.

Molecular Properties

Compound Nameazane;1-decoxydecane
PubChem CID87410134
Molecular FormulaC20H48N2O
Molecular Weight332.62 g/mol
Exact Mass332.38
IUPAC Nameazane;1-decoxydecane
SMILESCCCCCCCCCCOCCCCCCCCCC.N.N
InChIInChI=1S/C20H42O.2H3N/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;;/h3-20H2,1-2H3;2*1H3
InChIKeyLEBGJNCJKDGQRT-UHFFFAOYSA-N
XLogP7.61
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;1-tetradecoxytetradecane
CID 22505765
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
azane;1-propoxyoctane
CID 88631627
1-hexoxyhexane;yttrium
CID 87066735
1-(2-decoxyethoxy)decane
CID 14009354

Frequently Asked Questions

What is the IUPAC name of azane;1-decoxydecane?
The IUPAC name of azane;1-decoxydecane (CID 87410134) is azane;1-decoxydecane.
What is the SMILES notation for azane;1-decoxydecane?
The canonical SMILES for azane;1-decoxydecane is CCCCCCCCCCOCCCCCCCCCC.N.N.
What is the InChIKey of azane;1-decoxydecane?
The InChIKey is LEBGJNCJKDGQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O.2H3N/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;;/h3-20H2,1-2H3;2*1H3.
What are the key properties of azane;1-decoxydecane?
azane;1-decoxydecane has a molecular weight of 332.62 g/mol, XLogP of 7.61, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-decoxydecane is sourced from PubChem (CID 87410134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).