ethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine

C23H50N2O — CID 143375871

IUPACethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine
SMILESC=C.C=C(/C=C(\C)OCC)CN(C)C1CCN(C)CC1.CC.CC.CC
InChIInChI=1S/C15H28N2O.3C2H6.C2H4/c1-6-18-14(3)11-13(2)12-17(5)15-7-9-16(4)10-8-15;4*1-2/h11,15H,2,6-10,12H2,1,3-5H3;3*1-2H3;1-2H2/b14-11+;;;;
InChIKeyJZCBKAZVJUVSCU-KJERPTQJSA-N
MW370.67 g/mol
LogP6.39
Rot. Bonds6

About ethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine

ethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 143375871) has the molecular formula C23H50N2O and a molecular weight of 370.67 g/mol. Its IUPAC name is ethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound Nameethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine
PubChem CID143375871
Molecular FormulaC23H50N2O
Molecular Weight370.67 g/mol
Exact Mass370.39
IUPAC Nameethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine
SMILESC=C.C=C(/C=C(\C)OCC)CN(C)C1CCN(C)CC1.CC.CC.CC
InChIInChI=1S/C15H28N2O.3C2H6.C2H4/c1-6-18-14(3)11-13(2)12-17(5)15-7-9-16(4)10-8-15;4*1-2/h11,15H,2,6-10,12H2,1,3-5H3;3*1-2H3;1-2H2/b14-11+;;;;
InChIKeyJZCBKAZVJUVSCU-KJERPTQJSA-N
XLogP6.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.67
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine
CID 118058189
ethane;1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine
CID 142009191
ethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine
CID 143375785
ethane;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine
CID 143376027
but-1-ene;1-[(2E,4E)-2-[(E)-but-2-en-2-yl]-5-[3-(dimethylamino)propoxy]hexa-2,4-dienyl]-N,N-dimethylpiperidin-3-amine
CID 143623191
1-[3-[(3E,5Z)-8-piperidin-1-ylocta-3,5-dien-3-yl]oxypropyl]-3,6-dihydro-2H-pyridine
CID 142009192
N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine
CID 143375786
N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine
CID 143375872
N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine
CID 143376028
(2S,3E,4E)-2-ethyl-1-methyl-4-[1-(3-piperidin-1-ylpropoxy)propylidene]-3-prop-2-enylidenepiperidine
CID 143379942
1-[(2E,4E)-2-[(E)-but-2-en-2-yl]-5-[3-(dimethylamino)propoxy]hexa-2,4-dienyl]-N,N-dimethylpiperidin-3-amine
CID 143623192
N'-[(3E,5E)-6-ethoxy-1-piperidin-1-yl-3-[(Z)-prop-1-enyl]hepta-3,5-dien-2-yl]-N,N'-diethylethane-1,2-diamine
CID 144147429

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of ethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine (CID 143375871) is ethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for ethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for ethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine is C=C.C=C(/C=C(\C)OCC)CN(C)C1CCN(C)CC1.CC.CC.CC.
What is the InChIKey of ethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is JZCBKAZVJUVSCU-KJERPTQJSA-N. The full InChI is InChI=1S/C15H28N2O.3C2H6.C2H4/c1-6-18-14(3)11-13(2)12-17(5)15-7-9-16(4)10-8-15;4*1-2/h11,15H,2,6-10,12H2,1,3-5H3;3*1-2H3;1-2H2/b14-11+;;;;.
What are the key properties of ethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine?
ethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 370.67 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 143375871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).