1-[5-methyl-2-(2-methylpropyl)-2-propyldec-4-enyl]pyrrolidine

C22H43N — CID 91043947

IUPAC1-[5-methyl-2-(2-methylpropyl)-2-propyldec-4-enyl]pyrrolidine
SMILESCCCCCC(C)=CCC(CCC)(CC(C)C)CN1CCCC1
InChIInChI=1S/C22H43N/c1-6-8-9-12-21(5)13-15-22(14-7-2,18-20(3)4)19-23-16-10-11-17-23/h13,20H,6-12,14-19H2,1-5H3
InChIKeyODQWMLQODNJHMA-UHFFFAOYSA-N
MW321.59 g/mol
LogP6.83
Rot. Bonds12

About 1-[5-methyl-2-(2-methylpropyl)-2-propyldec-4-enyl]pyrrolidine

1-[5-methyl-2-(2-methylpropyl)-2-propyldec-4-enyl]pyrrolidine (PubChem CID 91043947) has the molecular formula C22H43N and a molecular weight of 321.59 g/mol. Its IUPAC name is 1-[5-methyl-2-(2-methylpropyl)-2-propyldec-4-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[5-methyl-2-(2-methylpropyl)-2-propyldec-4-enyl]pyrrolidine
PubChem CID91043947
Molecular FormulaC22H43N
Molecular Weight321.59 g/mol
Exact Mass321.34
IUPAC Name1-[5-methyl-2-(2-methylpropyl)-2-propyldec-4-enyl]pyrrolidine
SMILESCCCCCC(C)=CCC(CCC)(CC(C)C)CN1CCCC1
InChIInChI=1S/C22H43N/c1-6-8-9-12-21(5)13-15-22(14-7-2,18-20(3)4)19-23-16-10-11-17-23/h13,20H,6-12,14-19H2,1-5H3
InChIKeyODQWMLQODNJHMA-UHFFFAOYSA-N
XLogP6.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.59
LogP ≤ 56.83
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 1-[5-methyl-2-(2-methylpropyl)-2-propyldec-4-enyl]pyrrolidine?
The IUPAC name of 1-[5-methyl-2-(2-methylpropyl)-2-propyldec-4-enyl]pyrrolidine (CID 91043947) is 1-[5-methyl-2-(2-methylpropyl)-2-propyldec-4-enyl]pyrrolidine.
What is the SMILES notation for 1-[5-methyl-2-(2-methylpropyl)-2-propyldec-4-enyl]pyrrolidine?
The canonical SMILES for 1-[5-methyl-2-(2-methylpropyl)-2-propyldec-4-enyl]pyrrolidine is CCCCCC(C)=CCC(CCC)(CC(C)C)CN1CCCC1.
What is the InChIKey of 1-[5-methyl-2-(2-methylpropyl)-2-propyldec-4-enyl]pyrrolidine?
The InChIKey is ODQWMLQODNJHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N/c1-6-8-9-12-21(5)13-15-22(14-7-2,18-20(3)4)19-23-16-10-11-17-23/h13,20H,6-12,14-19H2,1-5H3.
What are the key properties of 1-[5-methyl-2-(2-methylpropyl)-2-propyldec-4-enyl]pyrrolidine?
1-[5-methyl-2-(2-methylpropyl)-2-propyldec-4-enyl]pyrrolidine has a molecular weight of 321.59 g/mol, XLogP of 6.83, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(2-methylpropyl)-2-propyldec-4-enyl]pyrrolidine is sourced from PubChem (CID 91043947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).