azane;1-tetradecoxytetradecane

C28H61NO — CID 22505765

IUPACazane;1-tetradecoxytetradecane
SMILESCCCCCCCCCCCCCCOCCCCCCCCCCCCCC.N
InChIInChI=1S/C28H58O.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-28H2,1-2H3;1H3
InChIKeyGOSYPWRVXAIMHO-UHFFFAOYSA-N
MW427.80 g/mol
LogP10.57
Rot. Bonds26

About azane;1-tetradecoxytetradecane

azane;1-tetradecoxytetradecane (PubChem CID 22505765) has the molecular formula C28H61NO and a molecular weight of 427.80 g/mol. Its IUPAC name is azane;1-tetradecoxytetradecane.

Molecular Properties

Compound Nameazane;1-tetradecoxytetradecane
PubChem CID22505765
Molecular FormulaC28H61NO
Molecular Weight427.80 g/mol
Exact Mass427.48
IUPAC Nameazane;1-tetradecoxytetradecane
SMILESCCCCCCCCCCCCCCOCCCCCCCCCCCCCC.N
InChIInChI=1S/C28H58O.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-28H2,1-2H3;1H3
InChIKeyGOSYPWRVXAIMHO-UHFFFAOYSA-N
XLogP10.57
TPSA44.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.80
LogP ≤ 510.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;1-decoxydecane
CID 87410134
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-tetradecoxytetradecane?
The IUPAC name of azane;1-tetradecoxytetradecane (CID 22505765) is azane;1-tetradecoxytetradecane.
What is the SMILES notation for azane;1-tetradecoxytetradecane?
The canonical SMILES for azane;1-tetradecoxytetradecane is CCCCCCCCCCCCCCOCCCCCCCCCCCCCC.N.
What is the InChIKey of azane;1-tetradecoxytetradecane?
The InChIKey is GOSYPWRVXAIMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-28H2,1-2H3;1H3.
What are the key properties of azane;1-tetradecoxytetradecane?
azane;1-tetradecoxytetradecane has a molecular weight of 427.80 g/mol, XLogP of 10.57, 26 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-tetradecoxytetradecane is sourced from PubChem (CID 22505765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).