4-[(Z)-but-2-enyl]piperidine;(Z)-5-ethenylimino-N-propyloct-6-en-1-amine;N-methylethenamine

C25H48N4 — CID 143003986

IUPAC4-[(Z)-but-2-enyl]piperidine;(Z)-5-ethenylimino-N-propyloct-6-en-1-amine;N-methylethenamine
SMILESC/C=C\CC1CCNCC1.C=C/N=C(/C=C\C)CCCCNCCC.C=CNC
InChIInChI=1S/C13H24N2.C9H17N.C3H7N/c1-4-9-13(15-6-3)10-7-8-12-14-11-5-2;1-2-3-4-9-5-7-10-8-6-9;1-3-4-2/h4,6,9,14H,3,5,7-8,10-12H2,1-2H3;2-3,9-10H,4-8H2,1H3;3-4H,1H2,2H3/b9-4-,15-13-;3-2-;
InChIKeyOBZMJORNYOTGEE-FUQYRAAPSA-N
MW404.69 g/mol
LogP5.62
Rot. Bonds12

About 4-[(Z)-but-2-enyl]piperidine;(Z)-5-ethenylimino-N-propyloct-6-en-1-amine;N-methylethenamine

4-[(Z)-but-2-enyl]piperidine;(Z)-5-ethenylimino-N-propyloct-6-en-1-amine;N-methylethenamine (PubChem CID 143003986) has the molecular formula C25H48N4 and a molecular weight of 404.69 g/mol. Its IUPAC name is 4-[(Z)-but-2-enyl]piperidine;(Z)-5-ethenylimino-N-propyloct-6-en-1-amine;N-methylethenamine.

Molecular Properties

Compound Name4-[(Z)-but-2-enyl]piperidine;(Z)-5-ethenylimino-N-propyloct-6-en-1-amine;N-methylethenamine
PubChem CID143003986
Molecular FormulaC25H48N4
Molecular Weight404.69 g/mol
Exact Mass404.39
IUPAC Name4-[(Z)-but-2-enyl]piperidine;(Z)-5-ethenylimino-N-propyloct-6-en-1-amine;N-methylethenamine
SMILESC/C=C\CC1CCNCC1.C=C/N=C(/C=C\C)CCCCNCCC.C=CNC
InChIInChI=1S/C13H24N2.C9H17N.C3H7N/c1-4-9-13(15-6-3)10-7-8-12-14-11-5-2;1-2-3-4-9-5-7-10-8-6-9;1-3-4-2/h4,6,9,14H,3,5,7-8,10-12H2,1-2H3;2-3,9-10H,4-8H2,1H3;3-4H,1H2,2H3/b9-4-,15-13-;3-2-;
InChIKeyOBZMJORNYOTGEE-FUQYRAAPSA-N
XLogP5.62
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.69
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-2-enyl]piperidine;(Z)-5-ethenylimino-N-propyloct-6-en-1-amine;N-methylethenamine?
The IUPAC name of 4-[(Z)-but-2-enyl]piperidine;(Z)-5-ethenylimino-N-propyloct-6-en-1-amine;N-methylethenamine (CID 143003986) is 4-[(Z)-but-2-enyl]piperidine;(Z)-5-ethenylimino-N-propyloct-6-en-1-amine;N-methylethenamine.
What is the SMILES notation for 4-[(Z)-but-2-enyl]piperidine;(Z)-5-ethenylimino-N-propyloct-6-en-1-amine;N-methylethenamine?
The canonical SMILES for 4-[(Z)-but-2-enyl]piperidine;(Z)-5-ethenylimino-N-propyloct-6-en-1-amine;N-methylethenamine is C/C=C\CC1CCNCC1.C=C/N=C(/C=C\C)CCCCNCCC.C=CNC.
What is the InChIKey of 4-[(Z)-but-2-enyl]piperidine;(Z)-5-ethenylimino-N-propyloct-6-en-1-amine;N-methylethenamine?
The InChIKey is OBZMJORNYOTGEE-FUQYRAAPSA-N. The full InChI is InChI=1S/C13H24N2.C9H17N.C3H7N/c1-4-9-13(15-6-3)10-7-8-12-14-11-5-2;1-2-3-4-9-5-7-10-8-6-9;1-3-4-2/h4,6,9,14H,3,5,7-8,10-12H2,1-2H3;2-3,9-10H,4-8H2,1H3;3-4H,1H2,2H3/b9-4-,15-13-;3-2-;.
What are the key properties of 4-[(Z)-but-2-enyl]piperidine;(Z)-5-ethenylimino-N-propyloct-6-en-1-amine;N-methylethenamine?
4-[(Z)-but-2-enyl]piperidine;(Z)-5-ethenylimino-N-propyloct-6-en-1-amine;N-methylethenamine has a molecular weight of 404.69 g/mol, XLogP of 5.62, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-enyl]piperidine;(Z)-5-ethenylimino-N-propyloct-6-en-1-amine;N-methylethenamine is sourced from PubChem (CID 143003986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).