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

C17H34N2O — CID 143376027

IUPACethane;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine
SMILESC=C(/C=C(\C)OCC)CNC1CCN(CC)CC1.CC
InChIInChI=1S/C15H28N2O.C2H6/c1-5-17-9-7-15(8-10-17)16-12-13(3)11-14(4)18-6-2;1-2/h11,15-16H,3,5-10,12H2,1-2,4H3;1-2H3/b14-11+;
InChIKeyLPSNPMDNVSDZOD-JHGYPSGKSA-N
MW282.47 g/mol
LogP3.58
Rot. Bonds7

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

ethane;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine (PubChem CID 143376027) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is ethane;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine.

Molecular Properties

Compound Nameethane;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine
PubChem CID143376027
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Nameethane;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine
SMILESC=C(/C=C(\C)OCC)CNC1CCN(CC)CC1.CC
InChIInChI=1S/C15H28N2O.C2H6/c1-5-17-9-7-15(8-10-17)16-12-13(3)11-14(4)18-6-2;1-2/h11,15-16H,3,5-10,12H2,1-2,4H3;1-2H3/b14-11+;
InChIKeyLPSNPMDNVSDZOD-JHGYPSGKSA-N
XLogP3.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine
CID 123724092
1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine
CID 135293155
3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-1-N-methylbutane-1,3-diamine;uranium
CID 143375653
3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-3-N-methylbutane-1,3-diamine
CID 143375655
ethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine
CID 143375785
ethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine
CID 143375871
methanamine;N-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine
CID 143378321
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
N-(cyclohexa-1,5-dien-1-ylmethyl)-1-(3-methoxypropyl)piperidin-4-amine
CID 144922631
ethane;(4E)-2-methyl-5-[(1-piperidin-4-ylpiperidin-4-yl)methoxy]hepta-2,4-dien-3-amine
CID 170749584
3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-1-N-methylbutane-1,3-diamine
CID 143375654
N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine
CID 143375786

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine?
The IUPAC name of ethane;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine (CID 143376027) is ethane;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine.
What is the SMILES notation for ethane;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine?
The canonical SMILES for ethane;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine is C=C(/C=C(\C)OCC)CNC1CCN(CC)CC1.CC.
What is the InChIKey of ethane;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine?
The InChIKey is LPSNPMDNVSDZOD-JHGYPSGKSA-N. The full InChI is InChI=1S/C15H28N2O.C2H6/c1-5-17-9-7-15(8-10-17)16-12-13(3)11-14(4)18-6-2;1-2/h11,15-16H,3,5-10,12H2,1-2,4H3;1-2H3/b14-11+;.
What are the key properties of ethane;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine?
ethane;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine has a molecular weight of 282.47 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine is sourced from PubChem (CID 143376027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).