CID 90849890

C14H28NO2 — CID 90849890

IUPAC—
SMILESCCCCCOC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C14H28NO2/c1-6-7-8-9-17-12-10-13(2,3)15(16)14(4,5)11-12/h12H,6-11H2,1-5H3
InChIKeyJYPSHZKOXOYTSB-UHFFFAOYSA-N
MW242.38 g/mol
LogP3.56
Rot. Bonds5

About CID 90849890

CID 90849890 (PubChem CID 90849890) has the molecular formula C14H28NO2 and a molecular weight of 242.38 g/mol.

Molecular Properties

Compound NameCID 90849890
PubChem CID90849890
Molecular FormulaC14H28NO2
Molecular Weight242.38 g/mol
Exact Mass242.21
IUPAC Name—
SMILESCCCCCOC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C14H28NO2/c1-6-7-8-9-17-12-10-13(2,3)15(16)14(4,5)11-12/h12H,6-11H2,1-5H3
InChIKeyJYPSHZKOXOYTSB-UHFFFAOYSA-N
XLogP3.56
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,2,6,6-pentamethyl-4-octoxypiperidine
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CID 140891551
4-decoxy-2,2,6,6-tetramethylpiperidine
CID 141105994
CID 11459117
CID 11459117
CID 102491560
CID 102491560
(4-butoxy-2,2,6,6-tetramethylpiperidin-1-yl) nitrate
CID 139948387
CID 11592494
CID 11592494
CID 140891553
CID 140891553
CID 101119102
CID 101119102
CID 177073534
CID 177073534
3-butoxy-1-methylcyclobutan-1-amine
CID 118087407
1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine
CID 118137024

Frequently Asked Questions

What is the IUPAC name of CID 90849890?
The IUPAC name of CID 90849890 (CID 90849890) is not available.
What is the SMILES notation for CID 90849890?
The canonical SMILES for CID 90849890 is CCCCCOC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 90849890?
The InChIKey is JYPSHZKOXOYTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28NO2/c1-6-7-8-9-17-12-10-13(2,3)15(16)14(4,5)11-12/h12H,6-11H2,1-5H3.
What are the key properties of CID 90849890?
CID 90849890 has a molecular weight of 242.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90849890 is sourced from PubChem (CID 90849890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).