5-(2,2-dimethylpropoxy)-2,2-diethyl-1-methoxypentan-1-amine

C15H33NO2 — CID 123361482

IUPAC5-(2,2-dimethylpropoxy)-2,2-diethyl-1-methoxypentan-1-amine
SMILESCCC(CC)(CCCOCC(C)(C)C)C(N)OC
InChIInChI=1S/C15H33NO2/c1-7-15(8-2,13(16)17-6)10-9-11-18-12-14(3,4)5/h13H,7-12,16H2,1-6H3
InChIKeyCJTIPMJRRZMBRK-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.57
Rot. Bonds9

About 5-(2,2-dimethylpropoxy)-2,2-diethyl-1-methoxypentan-1-amine

5-(2,2-dimethylpropoxy)-2,2-diethyl-1-methoxypentan-1-amine (PubChem CID 123361482) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 5-(2,2-dimethylpropoxy)-2,2-diethyl-1-methoxypentan-1-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropoxy)-2,2-diethyl-1-methoxypentan-1-amine
PubChem CID123361482
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name5-(2,2-dimethylpropoxy)-2,2-diethyl-1-methoxypentan-1-amine
SMILESCCC(CC)(CCCOCC(C)(C)C)C(N)OC
InChIInChI=1S/C15H33NO2/c1-7-15(8-2,13(16)17-6)10-9-11-18-12-14(3,4)5/h13H,7-12,16H2,1-6H3
InChIKeyCJTIPMJRRZMBRK-UHFFFAOYSA-N
XLogP3.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.57
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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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropoxy)-2,2-diethyl-1-methoxypentan-1-amine?
The IUPAC name of 5-(2,2-dimethylpropoxy)-2,2-diethyl-1-methoxypentan-1-amine (CID 123361482) is 5-(2,2-dimethylpropoxy)-2,2-diethyl-1-methoxypentan-1-amine.
What is the SMILES notation for 5-(2,2-dimethylpropoxy)-2,2-diethyl-1-methoxypentan-1-amine?
The canonical SMILES for 5-(2,2-dimethylpropoxy)-2,2-diethyl-1-methoxypentan-1-amine is CCC(CC)(CCCOCC(C)(C)C)C(N)OC.
What is the InChIKey of 5-(2,2-dimethylpropoxy)-2,2-diethyl-1-methoxypentan-1-amine?
The InChIKey is CJTIPMJRRZMBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-7-15(8-2,13(16)17-6)10-9-11-18-12-14(3,4)5/h13H,7-12,16H2,1-6H3.
What are the key properties of 5-(2,2-dimethylpropoxy)-2,2-diethyl-1-methoxypentan-1-amine?
5-(2,2-dimethylpropoxy)-2,2-diethyl-1-methoxypentan-1-amine has a molecular weight of 259.43 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropoxy)-2,2-diethyl-1-methoxypentan-1-amine is sourced from PubChem (CID 123361482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).