3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-1-amine

C15H32N2 — CID 63163529

IUPAC3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-1-amine
SMILESCCNCCC(C)N1CCC(CC)(CC)CC1
InChIInChI=1S/C15H32N2/c1-5-15(6-2)9-12-17(13-10-15)14(4)8-11-16-7-3/h14,16H,5-13H2,1-4H3
InChIKeyNNNCWRGLGBQZTP-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds7

About 3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-1-amine

3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-1-amine (PubChem CID 63163529) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-1-amine
PubChem CID63163529
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-1-amine
SMILESCCNCCC(C)N1CCC(CC)(CC)CC1
InChIInChI=1S/C15H32N2/c1-5-15(6-2)9-12-17(13-10-15)14(4)8-11-16-7-3/h14,16H,5-13H2,1-4H3
InChIKeyNNNCWRGLGBQZTP-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-1-amine?
The IUPAC name of 3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-1-amine (CID 63163529) is 3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-1-amine is CCNCCC(C)N1CCC(CC)(CC)CC1.
What is the InChIKey of 3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-1-amine?
The InChIKey is NNNCWRGLGBQZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-15(6-2)9-12-17(13-10-15)14(4)8-11-16-7-3/h14,16H,5-13H2,1-4H3.
What are the key properties of 3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-1-amine?
3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-1-amine is sourced from PubChem (CID 63163529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).