CID 153330082

C16H36NO2 — CID 153330082

IUPAC—
SMILESCCC.[CH]=C(CCOCCCCOCCC)NCC.[H][H]
InChIInChI=1S/C13H26NO2.C3H8.H2/c1-4-9-15-10-6-7-11-16-12-8-13(3)14-5-2;1-3-2;/h3,14H,4-12H2,1-2H3;3H2,1-2H3;1H
InChIKeyJUERMOSGDDWOFT-UHFFFAOYSA-N
MW274.47 g/mol
LogP4.19
Rot. Bonds12

About CID 153330082

CID 153330082 (PubChem CID 153330082) has the molecular formula C16H36NO2 and a molecular weight of 274.47 g/mol.

Molecular Properties

Compound NameCID 153330082
PubChem CID153330082
Molecular FormulaC16H36NO2
Molecular Weight274.47 g/mol
Exact Mass274.27
IUPAC Name—
SMILESCCC.[CH]=C(CCOCCCCOCCC)NCC.[H][H]
InChIInChI=1S/C13H26NO2.C3H8.H2/c1-4-9-15-10-6-7-11-16-12-8-13(3)14-5-2;1-3-2;/h3,14H,4-12H2,1-2H3;3H2,1-2H3;1H
InChIKeyJUERMOSGDDWOFT-UHFFFAOYSA-N
XLogP4.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 153330082?
The IUPAC name of CID 153330082 (CID 153330082) is not available.
What is the SMILES notation for CID 153330082?
The canonical SMILES for CID 153330082 is CCC.[CH]=C(CCOCCCCOCCC)NCC.[H][H].
What is the InChIKey of CID 153330082?
The InChIKey is JUERMOSGDDWOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26NO2.C3H8.H2/c1-4-9-15-10-6-7-11-16-12-8-13(3)14-5-2;1-3-2;/h3,14H,4-12H2,1-2H3;3H2,1-2H3;1H.
What are the key properties of CID 153330082?
CID 153330082 has a molecular weight of 274.47 g/mol, XLogP of 4.19, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153330082 is sourced from PubChem (CID 153330082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).