2,5-dimethylidene-1-(7-methyl-6-methylideneoctyl)-3-propan-2-ylpyrrolidine

C19H33N — CID 167292064

IUPAC2,5-dimethylidene-1-(7-methyl-6-methylideneoctyl)-3-propan-2-ylpyrrolidine
SMILESC=C(CCCCCN1C(=C)CC(C(C)C)C1=C)C(C)C
InChIInChI=1S/C19H33N/c1-14(2)16(5)11-9-8-10-12-20-17(6)13-19(15(3)4)18(20)7/h14-15,19H,5-13H2,1-4H3
InChIKeyXEDJYVBADBXQTN-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.76
Rot. Bonds8

About 2,5-dimethylidene-1-(7-methyl-6-methylideneoctyl)-3-propan-2-ylpyrrolidine

2,5-dimethylidene-1-(7-methyl-6-methylideneoctyl)-3-propan-2-ylpyrrolidine (PubChem CID 167292064) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 2,5-dimethylidene-1-(7-methyl-6-methylideneoctyl)-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2,5-dimethylidene-1-(7-methyl-6-methylideneoctyl)-3-propan-2-ylpyrrolidine
PubChem CID167292064
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name2,5-dimethylidene-1-(7-methyl-6-methylideneoctyl)-3-propan-2-ylpyrrolidine
SMILESC=C(CCCCCN1C(=C)CC(C(C)C)C1=C)C(C)C
InChIInChI=1S/C19H33N/c1-14(2)16(5)11-9-8-10-12-20-17(6)13-19(15(3)4)18(20)7/h14-15,19H,5-13H2,1-4H3
InChIKeyXEDJYVBADBXQTN-UHFFFAOYSA-N
XLogP5.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylidene-1-(7-methyl-6-methylideneoctyl)-3-propan-2-ylpyrrolidine?
The IUPAC name of 2,5-dimethylidene-1-(7-methyl-6-methylideneoctyl)-3-propan-2-ylpyrrolidine (CID 167292064) is 2,5-dimethylidene-1-(7-methyl-6-methylideneoctyl)-3-propan-2-ylpyrrolidine.
What is the SMILES notation for 2,5-dimethylidene-1-(7-methyl-6-methylideneoctyl)-3-propan-2-ylpyrrolidine?
The canonical SMILES for 2,5-dimethylidene-1-(7-methyl-6-methylideneoctyl)-3-propan-2-ylpyrrolidine is C=C(CCCCCN1C(=C)CC(C(C)C)C1=C)C(C)C.
What is the InChIKey of 2,5-dimethylidene-1-(7-methyl-6-methylideneoctyl)-3-propan-2-ylpyrrolidine?
The InChIKey is XEDJYVBADBXQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-14(2)16(5)11-9-8-10-12-20-17(6)13-19(15(3)4)18(20)7/h14-15,19H,5-13H2,1-4H3.
What are the key properties of 2,5-dimethylidene-1-(7-methyl-6-methylideneoctyl)-3-propan-2-ylpyrrolidine?
2,5-dimethylidene-1-(7-methyl-6-methylideneoctyl)-3-propan-2-ylpyrrolidine has a molecular weight of 275.48 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylidene-1-(7-methyl-6-methylideneoctyl)-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 167292064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).