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

C23H49N3O3 — CID 167191540

IUPAC1-[2-[2-[2-[2-(2,2-dimethylpropylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine
SMILESCCC(C)(C)NC1CCN(CCOCCOCCOCCNCC(C)(C)C)CC1
InChIInChI=1S/C23H49N3O3/c1-7-23(5,6)25-21-8-11-26(12-9-21)13-15-28-17-19-29-18-16-27-14-10-24-20-22(2,3)4/h21,24-25H,7-20H2,1-6H3
InChIKeyKOPBXCIVVGMZJO-UHFFFAOYSA-N
MW415.66 g/mol
LogP2.91
Rot. Bonds16

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

1-[2-[2-[2-[2-(2,2-dimethylpropylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine (PubChem CID 167191540) has the molecular formula C23H49N3O3 and a molecular weight of 415.66 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2,2-dimethylpropylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2,2-dimethylpropylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine
PubChem CID167191540
Molecular FormulaC23H49N3O3
Molecular Weight415.66 g/mol
Exact Mass415.38
IUPAC Name1-[2-[2-[2-[2-(2,2-dimethylpropylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine
SMILESCCC(C)(C)NC1CCN(CCOCCOCCOCCNCC(C)(C)C)CC1
InChIInChI=1S/C23H49N3O3/c1-7-23(5,6)25-21-8-11-26(12-9-21)13-15-28-17-19-29-18-16-27-14-10-24-20-22(2,3)4/h21,24-25H,7-20H2,1-6H3
InChIKeyKOPBXCIVVGMZJO-UHFFFAOYSA-N
XLogP2.91
TPSA54.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.66
LogP ≤ 52.91
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-dimethylpropylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine?
The IUPAC name of 1-[2-[2-[2-[2-(2,2-dimethylpropylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine (CID 167191540) is 1-[2-[2-[2-[2-(2,2-dimethylpropylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-[2-[2-[2-[2-(2,2-dimethylpropylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine?
The canonical SMILES for 1-[2-[2-[2-[2-(2,2-dimethylpropylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine is CCC(C)(C)NC1CCN(CCOCCOCCOCCNCC(C)(C)C)CC1.
What is the InChIKey of 1-[2-[2-[2-[2-(2,2-dimethylpropylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine?
The InChIKey is KOPBXCIVVGMZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49N3O3/c1-7-23(5,6)25-21-8-11-26(12-9-21)13-15-28-17-19-29-18-16-27-14-10-24-20-22(2,3)4/h21,24-25H,7-20H2,1-6H3.
What are the key properties of 1-[2-[2-[2-[2-(2,2-dimethylpropylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine?
1-[2-[2-[2-[2-(2,2-dimethylpropylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine has a molecular weight of 415.66 g/mol, XLogP of 2.91, 16 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-dimethylpropylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(2-methylbutan-2-yl)piperidin-4-amine is sourced from PubChem (CID 167191540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).