1-[2-[2-[2-[2-(2,2-dimethylbutylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylpentan-2-yl)piperidin-4-amine

C25H53N3O3 — CID 166800567

IUPAC1-[2-[2-[2-[2-(2,2-dimethylbutylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylpentan-2-yl)piperidin-4-amine
SMILESCCCC(C)(C)NC1CCN(CCOCCOCCOCCNCC(C)(C)CC)CC1
InChIInChI=1S/C25H53N3O3/c1-7-11-25(5,6)27-23-9-13-28(14-10-23)15-17-30-19-21-31-20-18-29-16-12-26-22-24(3,4)8-2/h23,26-27H,7-22H2,1-6H3
InChIKeyCFZSPTYYTVERBZ-UHFFFAOYSA-N
MW443.72 g/mol
LogP3.69
Rot. Bonds19

About 1-[2-[2-[2-[2-(2,2-dimethylbutylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylpentan-2-yl)piperidin-4-amine

1-[2-[2-[2-[2-(2,2-dimethylbutylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylpentan-2-yl)piperidin-4-amine (PubChem CID 166800567) has the molecular formula C25H53N3O3 and a molecular weight of 443.72 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2,2-dimethylbutylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylpentan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2,2-dimethylbutylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylpentan-2-yl)piperidin-4-amine
PubChem CID166800567
Molecular FormulaC25H53N3O3
Molecular Weight443.72 g/mol
Exact Mass443.41
IUPAC Name1-[2-[2-[2-[2-(2,2-dimethylbutylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylpentan-2-yl)piperidin-4-amine
SMILESCCCC(C)(C)NC1CCN(CCOCCOCCOCCNCC(C)(C)CC)CC1
InChIInChI=1S/C25H53N3O3/c1-7-11-25(5,6)27-23-9-13-28(14-10-23)15-17-30-19-21-31-20-18-29-16-12-26-22-24(3,4)8-2/h23,26-27H,7-22H2,1-6H3
InChIKeyCFZSPTYYTVERBZ-UHFFFAOYSA-N
XLogP3.69
TPSA54.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.72
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-(2,2-dimethylbutylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylpentan-2-yl)piperidin-4-amine?
The IUPAC name of 1-[2-[2-[2-[2-(2,2-dimethylbutylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylpentan-2-yl)piperidin-4-amine (CID 166800567) is 1-[2-[2-[2-[2-(2,2-dimethylbutylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylpentan-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-[2-[2-[2-[2-(2,2-dimethylbutylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylpentan-2-yl)piperidin-4-amine?
The canonical SMILES for 1-[2-[2-[2-[2-(2,2-dimethylbutylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylpentan-2-yl)piperidin-4-amine is CCCC(C)(C)NC1CCN(CCOCCOCCOCCNCC(C)(C)CC)CC1.
What is the InChIKey of 1-[2-[2-[2-[2-(2,2-dimethylbutylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylpentan-2-yl)piperidin-4-amine?
The InChIKey is CFZSPTYYTVERBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N3O3/c1-7-11-25(5,6)27-23-9-13-28(14-10-23)15-17-30-19-21-31-20-18-29-16-12-26-22-24(3,4)8-2/h23,26-27H,7-22H2,1-6H3.
What are the key properties of 1-[2-[2-[2-[2-(2,2-dimethylbutylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylpentan-2-yl)piperidin-4-amine?
1-[2-[2-[2-[2-(2,2-dimethylbutylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylpentan-2-yl)piperidin-4-amine has a molecular weight of 443.72 g/mol, XLogP of 3.69, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(2,2-dimethylbutylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylpentan-2-yl)piperidin-4-amine is sourced from PubChem (CID 166800567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).