(2E,3Z)-1-pentadecan-8-yl-2,3-bis(prop-2-enylidene)piperidine

C26H45N — CID 130411031

IUPAC(2E,3Z)-1-pentadecan-8-yl-2,3-bis(prop-2-enylidene)piperidine
SMILESC=C/C=C1/CCCN(C(CCCCCCC)CCCCCCC)/C1=C/C=C
InChIInChI=1S/C26H45N/c1-5-9-11-13-15-21-25(22-16-14-12-10-6-2)27-23-17-20-24(18-7-3)26(27)19-8-4/h7-8,18-19,25H,3-6,9-17,20-23H2,1-2H3/b24-18-,26-19+
InChIKeyXWUOUMYNSUQAKJ-VEAPLJLUSA-N
MW371.65 g/mol
LogP8.35
Rot. Bonds15

About (2E,3Z)-1-pentadecan-8-yl-2,3-bis(prop-2-enylidene)piperidine

(2E,3Z)-1-pentadecan-8-yl-2,3-bis(prop-2-enylidene)piperidine (PubChem CID 130411031) has the molecular formula C26H45N and a molecular weight of 371.65 g/mol. Its IUPAC name is (2E,3Z)-1-pentadecan-8-yl-2,3-bis(prop-2-enylidene)piperidine.

Molecular Properties

Compound Name(2E,3Z)-1-pentadecan-8-yl-2,3-bis(prop-2-enylidene)piperidine
PubChem CID130411031
Molecular FormulaC26H45N
Molecular Weight371.65 g/mol
Exact Mass371.36
IUPAC Name(2E,3Z)-1-pentadecan-8-yl-2,3-bis(prop-2-enylidene)piperidine
SMILESC=C/C=C1/CCCN(C(CCCCCCC)CCCCCCC)/C1=C/C=C
InChIInChI=1S/C26H45N/c1-5-9-11-13-15-21-25(22-16-14-12-10-6-2)27-23-17-20-24(18-7-3)26(27)19-8-4/h7-8,18-19,25H,3-6,9-17,20-23H2,1-2H3/b24-18-,26-19+
InChIKeyXWUOUMYNSUQAKJ-VEAPLJLUSA-N
XLogP8.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.65
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-1-pentadecan-8-yl-2,3-bis(prop-2-enylidene)piperidine?
The IUPAC name of (2E,3Z)-1-pentadecan-8-yl-2,3-bis(prop-2-enylidene)piperidine (CID 130411031) is (2E,3Z)-1-pentadecan-8-yl-2,3-bis(prop-2-enylidene)piperidine.
What is the SMILES notation for (2E,3Z)-1-pentadecan-8-yl-2,3-bis(prop-2-enylidene)piperidine?
The canonical SMILES for (2E,3Z)-1-pentadecan-8-yl-2,3-bis(prop-2-enylidene)piperidine is C=C/C=C1/CCCN(C(CCCCCCC)CCCCCCC)/C1=C/C=C.
What is the InChIKey of (2E,3Z)-1-pentadecan-8-yl-2,3-bis(prop-2-enylidene)piperidine?
The InChIKey is XWUOUMYNSUQAKJ-VEAPLJLUSA-N. The full InChI is InChI=1S/C26H45N/c1-5-9-11-13-15-21-25(22-16-14-12-10-6-2)27-23-17-20-24(18-7-3)26(27)19-8-4/h7-8,18-19,25H,3-6,9-17,20-23H2,1-2H3/b24-18-,26-19+.
What are the key properties of (2E,3Z)-1-pentadecan-8-yl-2,3-bis(prop-2-enylidene)piperidine?
(2E,3Z)-1-pentadecan-8-yl-2,3-bis(prop-2-enylidene)piperidine has a molecular weight of 371.65 g/mol, XLogP of 8.35, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-1-pentadecan-8-yl-2,3-bis(prop-2-enylidene)piperidine is sourced from PubChem (CID 130411031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).