N-ethenyl-1-pentadecan-8-yl-2-prop-2-enylidenepiperidin-3-imine

C25H44N2 — CID 174032539

IUPACN-ethenyl-1-pentadecan-8-yl-2-prop-2-enylidenepiperidin-3-imine
SMILESC=CC=C1/C(=N/C=C)CCCN1C(CCCCCCC)CCCCCCC
InChIInChI=1S/C25H44N2/c1-5-9-11-13-15-19-23(20-16-14-12-10-6-2)27-22-17-21-24(26-8-4)25(27)18-7-3/h7-8,18,23H,3-6,9-17,19-22H2,1-2H3/b25-18?,26-24+
InChIKeyOMYYJLDRMMWYSE-HMJJQINXSA-N
MW372.64 g/mol
LogP7.83
Rot. Bonds15

About N-ethenyl-1-pentadecan-8-yl-2-prop-2-enylidenepiperidin-3-imine

N-ethenyl-1-pentadecan-8-yl-2-prop-2-enylidenepiperidin-3-imine (PubChem CID 174032539) has the molecular formula C25H44N2 and a molecular weight of 372.64 g/mol. Its IUPAC name is N-ethenyl-1-pentadecan-8-yl-2-prop-2-enylidenepiperidin-3-imine.

Molecular Properties

Compound NameN-ethenyl-1-pentadecan-8-yl-2-prop-2-enylidenepiperidin-3-imine
PubChem CID174032539
Molecular FormulaC25H44N2
Molecular Weight372.64 g/mol
Exact Mass372.35
IUPAC NameN-ethenyl-1-pentadecan-8-yl-2-prop-2-enylidenepiperidin-3-imine
SMILESC=CC=C1/C(=N/C=C)CCCN1C(CCCCCCC)CCCCCCC
InChIInChI=1S/C25H44N2/c1-5-9-11-13-15-19-23(20-16-14-12-10-6-2)27-22-17-21-24(26-8-4)25(27)18-7-3/h7-8,18,23H,3-6,9-17,19-22H2,1-2H3/b25-18?,26-24+
InChIKeyOMYYJLDRMMWYSE-HMJJQINXSA-N
XLogP7.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-pentadecan-8-yl-2-prop-2-enylidenepiperidin-3-imine?
The IUPAC name of N-ethenyl-1-pentadecan-8-yl-2-prop-2-enylidenepiperidin-3-imine (CID 174032539) is N-ethenyl-1-pentadecan-8-yl-2-prop-2-enylidenepiperidin-3-imine.
What is the SMILES notation for N-ethenyl-1-pentadecan-8-yl-2-prop-2-enylidenepiperidin-3-imine?
The canonical SMILES for N-ethenyl-1-pentadecan-8-yl-2-prop-2-enylidenepiperidin-3-imine is C=CC=C1/C(=N/C=C)CCCN1C(CCCCCCC)CCCCCCC.
What is the InChIKey of N-ethenyl-1-pentadecan-8-yl-2-prop-2-enylidenepiperidin-3-imine?
The InChIKey is OMYYJLDRMMWYSE-HMJJQINXSA-N. The full InChI is InChI=1S/C25H44N2/c1-5-9-11-13-15-19-23(20-16-14-12-10-6-2)27-22-17-21-24(26-8-4)25(27)18-7-3/h7-8,18,23H,3-6,9-17,19-22H2,1-2H3/b25-18?,26-24+.
What are the key properties of N-ethenyl-1-pentadecan-8-yl-2-prop-2-enylidenepiperidin-3-imine?
N-ethenyl-1-pentadecan-8-yl-2-prop-2-enylidenepiperidin-3-imine has a molecular weight of 372.64 g/mol, XLogP of 7.83, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-pentadecan-8-yl-2-prop-2-enylidenepiperidin-3-imine is sourced from PubChem (CID 174032539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).