3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-2-amine

C15H32N2 — CID 55165460

IUPAC3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-2-amine
SMILESCCNC(C)C(C)N1CCC(CC)(CC)CC1
InChIInChI=1S/C15H32N2/c1-6-15(7-2)9-11-17(12-10-15)14(5)13(4)16-8-3/h13-14,16H,6-12H2,1-5H3
InChIKeyPPUNEXBKHWUAQW-UHFFFAOYSA-N
MW240.44 g/mol
LogP3.28
Rot. Bonds6

About 3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-2-amine

3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-2-amine (PubChem CID 55165460) has the molecular formula C15H32N2 and a molecular weight of 240.44 g/mol. Its IUPAC name is 3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-2-amine
PubChem CID55165460
Molecular FormulaC15H32N2
Molecular Weight240.44 g/mol
Exact Mass240.26
IUPAC Name3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-2-amine
SMILESCCNC(C)C(C)N1CCC(CC)(CC)CC1
InChIInChI=1S/C15H32N2/c1-6-15(7-2)9-11-17(12-10-15)14(5)13(4)16-8-3/h13-14,16H,6-12H2,1-5H3
InChIKeyPPUNEXBKHWUAQW-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4,4-diethylpiperidin-1-yl)propyl]pentan-3-amine
CID 55196839
3-(4,4-diethylpiperidin-1-yl)-2-methylbutanehydrazide
CID 79409752
3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-1-amine
CID 63163529
2-(4,4-diethylpiperidin-1-yl)-4-methylpentan-1-amine
CID 63156923
methyl 2-(4,4-diethylpiperidin-1-yl)propanoate
CID 63158633
N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine
CID 63163464
2-(4,4-diethylpiperidin-1-yl)-3-methylbutanehydrazide
CID 55212673
2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypropanimidamide
CID 76986657
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-2-amine
CID 115559633
N-[(1-ethylcyclopropyl)methyl]propan-2-amine
CID 66026004
4,4-diethyl-1-(2-methylpropyl)piperidine;ethane
CID 154670691
N-[2-(4,4-diethylpiperidin-1-yl)propyl]aniline
CID 63503487

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-2-amine?
The IUPAC name of 3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-2-amine (CID 55165460) is 3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-2-amine.
What is the SMILES notation for 3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-2-amine?
The canonical SMILES for 3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-2-amine is CCNC(C)C(C)N1CCC(CC)(CC)CC1.
What is the InChIKey of 3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-2-amine?
The InChIKey is PPUNEXBKHWUAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-6-15(7-2)9-11-17(12-10-15)14(5)13(4)16-8-3/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-2-amine?
3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-2-amine has a molecular weight of 240.44 g/mol, XLogP of 3.28, 6 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-2-amine is sourced from PubChem (CID 55165460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).