1-(6-ethyl-8-methyl-4-methylideneundeca-2,6,10-trien-3-yl)piperazine

C19H32N2 — CID 123511632

IUPAC1-(6-ethyl-8-methyl-4-methylideneundeca-2,6,10-trien-3-yl)piperazine
SMILESC=CCC(C)C=C(CC)CC(=C)C(=CC)N1CCNCC1
InChIInChI=1S/C19H32N2/c1-6-9-16(4)14-18(7-2)15-17(5)19(8-3)21-12-10-20-11-13-21/h6,8,14,16,20H,1,5,7,9-13,15H2,2-4H3
InChIKeyUBBVTVUNWGZOCS-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.29
Rot. Bonds8

About 1-(6-ethyl-8-methyl-4-methylideneundeca-2,6,10-trien-3-yl)piperazine

1-(6-ethyl-8-methyl-4-methylideneundeca-2,6,10-trien-3-yl)piperazine (PubChem CID 123511632) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(6-ethyl-8-methyl-4-methylideneundeca-2,6,10-trien-3-yl)piperazine.

Molecular Properties

Compound Name1-(6-ethyl-8-methyl-4-methylideneundeca-2,6,10-trien-3-yl)piperazine
PubChem CID123511632
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(6-ethyl-8-methyl-4-methylideneundeca-2,6,10-trien-3-yl)piperazine
SMILESC=CCC(C)C=C(CC)CC(=C)C(=CC)N1CCNCC1
InChIInChI=1S/C19H32N2/c1-6-9-16(4)14-18(7-2)15-17(5)19(8-3)21-12-10-20-11-13-21/h6,8,14,16,20H,1,5,7,9-13,15H2,2-4H3
InChIKeyUBBVTVUNWGZOCS-UHFFFAOYSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-8-methyl-4-methylideneundeca-2,6,10-trien-3-yl)piperazine?
The IUPAC name of 1-(6-ethyl-8-methyl-4-methylideneundeca-2,6,10-trien-3-yl)piperazine (CID 123511632) is 1-(6-ethyl-8-methyl-4-methylideneundeca-2,6,10-trien-3-yl)piperazine.
What is the SMILES notation for 1-(6-ethyl-8-methyl-4-methylideneundeca-2,6,10-trien-3-yl)piperazine?
The canonical SMILES for 1-(6-ethyl-8-methyl-4-methylideneundeca-2,6,10-trien-3-yl)piperazine is C=CCC(C)C=C(CC)CC(=C)C(=CC)N1CCNCC1.
What is the InChIKey of 1-(6-ethyl-8-methyl-4-methylideneundeca-2,6,10-trien-3-yl)piperazine?
The InChIKey is UBBVTVUNWGZOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-9-16(4)14-18(7-2)15-17(5)19(8-3)21-12-10-20-11-13-21/h6,8,14,16,20H,1,5,7,9-13,15H2,2-4H3.
What are the key properties of 1-(6-ethyl-8-methyl-4-methylideneundeca-2,6,10-trien-3-yl)piperazine?
1-(6-ethyl-8-methyl-4-methylideneundeca-2,6,10-trien-3-yl)piperazine has a molecular weight of 288.48 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-8-methyl-4-methylideneundeca-2,6,10-trien-3-yl)piperazine is sourced from PubChem (CID 123511632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).