1-[2-(2,2-dimethylpropoxy)ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine

C17H36N2O — CID 138467616

IUPAC1-[2-(2,2-dimethylpropoxy)ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine
SMILESCCC(C)(C)NC1CCN(CCOCC(C)(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-7-17(5,6)18-15-8-10-19(11-9-15)12-13-20-14-16(2,3)4/h15,18H,7-14H2,1-6H3
InChIKeyVFZQMMQBEHNDQE-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds7

About 1-[2-(2,2-dimethylpropoxy)ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine

1-[2-(2,2-dimethylpropoxy)ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine (PubChem CID 138467616) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpropoxy)ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpropoxy)ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine
PubChem CID138467616
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name1-[2-(2,2-dimethylpropoxy)ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine
SMILESCCC(C)(C)NC1CCN(CCOCC(C)(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-7-17(5,6)18-15-8-10-19(11-9-15)12-13-20-14-16(2,3)4/h15,18H,7-14H2,1-6H3
InChIKeyVFZQMMQBEHNDQE-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.29
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 1-[2-(2,2-dimethylpropoxy)ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine?
The IUPAC name of 1-[2-(2,2-dimethylpropoxy)ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine (CID 138467616) is 1-[2-(2,2-dimethylpropoxy)ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-[2-(2,2-dimethylpropoxy)ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine?
The canonical SMILES for 1-[2-(2,2-dimethylpropoxy)ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine is CCC(C)(C)NC1CCN(CCOCC(C)(C)C)CC1.
What is the InChIKey of 1-[2-(2,2-dimethylpropoxy)ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine?
The InChIKey is VFZQMMQBEHNDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-7-17(5,6)18-15-8-10-19(11-9-15)12-13-20-14-16(2,3)4/h15,18H,7-14H2,1-6H3.
What are the key properties of 1-[2-(2,2-dimethylpropoxy)ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine?
1-[2-(2,2-dimethylpropoxy)ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine has a molecular weight of 284.49 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpropoxy)ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine is sourced from PubChem (CID 138467616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).