ethane;1-(4-ethylpiperidin-1-yl)-2-[hexyl(propyl)amino]ethanone

C20H42N2O — CID 176968729

IUPACethane;1-(4-ethylpiperidin-1-yl)-2-[hexyl(propyl)amino]ethanone
SMILESCC.CCCCCCN(CCC)CC(=O)N1CCC(CC)CC1
InChIInChI=1S/C18H36N2O.C2H6/c1-4-7-8-9-13-19(12-5-2)16-18(21)20-14-10-17(6-3)11-15-20;1-2/h17H,4-16H2,1-3H3;1-2H3
InChIKeyHDGFEHSRAZWIMU-UHFFFAOYSA-N
MW326.57 g/mol
LogP4.95
Rot. Bonds10

About ethane;1-(4-ethylpiperidin-1-yl)-2-[hexyl(propyl)amino]ethanone

ethane;1-(4-ethylpiperidin-1-yl)-2-[hexyl(propyl)amino]ethanone (PubChem CID 176968729) has the molecular formula C20H42N2O and a molecular weight of 326.57 g/mol. Its IUPAC name is ethane;1-(4-ethylpiperidin-1-yl)-2-[hexyl(propyl)amino]ethanone.

Molecular Properties

Compound Nameethane;1-(4-ethylpiperidin-1-yl)-2-[hexyl(propyl)amino]ethanone
PubChem CID176968729
Molecular FormulaC20H42N2O
Molecular Weight326.57 g/mol
Exact Mass326.33
IUPAC Nameethane;1-(4-ethylpiperidin-1-yl)-2-[hexyl(propyl)amino]ethanone
SMILESCC.CCCCCCN(CCC)CC(=O)N1CCC(CC)CC1
InChIInChI=1S/C18H36N2O.C2H6/c1-4-7-8-9-13-19(12-5-2)16-18(21)20-14-10-17(6-3)11-15-20;1-2/h17H,4-16H2,1-3H3;1-2H3
InChIKeyHDGFEHSRAZWIMU-UHFFFAOYSA-N
XLogP4.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]-2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]ethanone
CID 170756932
ethane;4-ethyl-1-methylpiperidine;1-[hexyl(propyl)amino]propan-2-one;molecular hydrogen
CID 170620334
4-[2-(didodecylamino)acetyl]piperazine-1-carboxylic acid
CID 129286600
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[4-(methoxymethyl)piperidin-1-yl]ethanone;2-[nonyl(octyl)amino]acetaldehyde
CID 170755063
2-[2-(didodecylamino)ethyl-dodecylamino]-1-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethanone
CID 129293464
2-[di(nonyl)amino]-1-[4-[2-[2-(dodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone
CID 142499529
2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[4-[2-[di(nonyl)amino]ethyl]piperazin-1-yl]ethanone
CID 137387941
2-(didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]ethyl]piperazin-1-yl]ethanone
CID 129286382
2-[2-[decyl(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone
CID 162463057
[1-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]pyrrolidin-3-yl] 2-[di(nonyl)amino]acetate
CID 176836457
2-[10-cyclopropyldodecyl(dodecyl)amino]-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone
CID 145405386

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-ethylpiperidin-1-yl)-2-[hexyl(propyl)amino]ethanone?
The IUPAC name of ethane;1-(4-ethylpiperidin-1-yl)-2-[hexyl(propyl)amino]ethanone (CID 176968729) is ethane;1-(4-ethylpiperidin-1-yl)-2-[hexyl(propyl)amino]ethanone.
What is the SMILES notation for ethane;1-(4-ethylpiperidin-1-yl)-2-[hexyl(propyl)amino]ethanone?
The canonical SMILES for ethane;1-(4-ethylpiperidin-1-yl)-2-[hexyl(propyl)amino]ethanone is CC.CCCCCCN(CCC)CC(=O)N1CCC(CC)CC1.
What is the InChIKey of ethane;1-(4-ethylpiperidin-1-yl)-2-[hexyl(propyl)amino]ethanone?
The InChIKey is HDGFEHSRAZWIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O.C2H6/c1-4-7-8-9-13-19(12-5-2)16-18(21)20-14-10-17(6-3)11-15-20;1-2/h17H,4-16H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(4-ethylpiperidin-1-yl)-2-[hexyl(propyl)amino]ethanone?
ethane;1-(4-ethylpiperidin-1-yl)-2-[hexyl(propyl)amino]ethanone has a molecular weight of 326.57 g/mol, XLogP of 4.95, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-ethylpiperidin-1-yl)-2-[hexyl(propyl)amino]ethanone is sourced from PubChem (CID 176968729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).