5-ethyl-1-(5-methylhexa-2,4-dien-2-yl)-2-methylidene-3-(2-methylprop-2-enyl)pyrrolidine

C18H29N — CID 123700663

IUPAC5-ethyl-1-(5-methylhexa-2,4-dien-2-yl)-2-methylidene-3-(2-methylprop-2-enyl)pyrrolidine
SMILESC=C(C)CC1CC(CC)N(C(C)=CC=C(C)C)C1=C
InChIInChI=1S/C18H29N/c1-8-18-12-17(11-14(4)5)16(7)19(18)15(6)10-9-13(2)3/h9-10,17-18H,4,7-8,11-12H2,1-3,5-6H3
InChIKeyYKIYBDWLHWWLLF-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.44
Rot. Bonds5

About 5-ethyl-1-(5-methylhexa-2,4-dien-2-yl)-2-methylidene-3-(2-methylprop-2-enyl)pyrrolidine

5-ethyl-1-(5-methylhexa-2,4-dien-2-yl)-2-methylidene-3-(2-methylprop-2-enyl)pyrrolidine (PubChem CID 123700663) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 5-ethyl-1-(5-methylhexa-2,4-dien-2-yl)-2-methylidene-3-(2-methylprop-2-enyl)pyrrolidine.

Molecular Properties

Compound Name5-ethyl-1-(5-methylhexa-2,4-dien-2-yl)-2-methylidene-3-(2-methylprop-2-enyl)pyrrolidine
PubChem CID123700663
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name5-ethyl-1-(5-methylhexa-2,4-dien-2-yl)-2-methylidene-3-(2-methylprop-2-enyl)pyrrolidine
SMILESC=C(C)CC1CC(CC)N(C(C)=CC=C(C)C)C1=C
InChIInChI=1S/C18H29N/c1-8-18-12-17(11-14(4)5)16(7)19(18)15(6)10-9-13(2)3/h9-10,17-18H,4,7-8,11-12H2,1-3,5-6H3
InChIKeyYKIYBDWLHWWLLF-UHFFFAOYSA-N
XLogP5.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-ethyl-1-(5-methylhexa-2,4-dien-2-yl)-2-methylidene-3-(2-methylprop-2-enyl)pyrrolidine?
The IUPAC name of 5-ethyl-1-(5-methylhexa-2,4-dien-2-yl)-2-methylidene-3-(2-methylprop-2-enyl)pyrrolidine (CID 123700663) is 5-ethyl-1-(5-methylhexa-2,4-dien-2-yl)-2-methylidene-3-(2-methylprop-2-enyl)pyrrolidine.
What is the SMILES notation for 5-ethyl-1-(5-methylhexa-2,4-dien-2-yl)-2-methylidene-3-(2-methylprop-2-enyl)pyrrolidine?
The canonical SMILES for 5-ethyl-1-(5-methylhexa-2,4-dien-2-yl)-2-methylidene-3-(2-methylprop-2-enyl)pyrrolidine is C=C(C)CC1CC(CC)N(C(C)=CC=C(C)C)C1=C.
What is the InChIKey of 5-ethyl-1-(5-methylhexa-2,4-dien-2-yl)-2-methylidene-3-(2-methylprop-2-enyl)pyrrolidine?
The InChIKey is YKIYBDWLHWWLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-8-18-12-17(11-14(4)5)16(7)19(18)15(6)10-9-13(2)3/h9-10,17-18H,4,7-8,11-12H2,1-3,5-6H3.
What are the key properties of 5-ethyl-1-(5-methylhexa-2,4-dien-2-yl)-2-methylidene-3-(2-methylprop-2-enyl)pyrrolidine?
5-ethyl-1-(5-methylhexa-2,4-dien-2-yl)-2-methylidene-3-(2-methylprop-2-enyl)pyrrolidine has a molecular weight of 259.44 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(5-methylhexa-2,4-dien-2-yl)-2-methylidene-3-(2-methylprop-2-enyl)pyrrolidine is sourced from PubChem (CID 123700663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).