3-[1,5-dimethyl-5-(1-methylcyclodecyl)oxycyclononyl]pyrrolidine

C26H49NO — CID 134353390

IUPAC3-[1,5-dimethyl-5-(1-methylcyclodecyl)oxycyclononyl]pyrrolidine
SMILESCC1(OC2(C)CCCCC(C)(C3CCNC3)CCC2)CCCCCCCCC1
InChIInChI=1S/C26H49NO/c1-24(23-14-21-27-22-23)15-11-12-19-26(3,20-13-16-24)28-25(2)17-9-7-5-4-6-8-10-18-25/h23,27H,4-22H2,1-3H3
InChIKeyIGVIPMVLWISIDW-UHFFFAOYSA-N
MW391.68 g/mol
LogP7.41
Rot. Bonds3

About 3-[1,5-dimethyl-5-(1-methylcyclodecyl)oxycyclononyl]pyrrolidine

3-[1,5-dimethyl-5-(1-methylcyclodecyl)oxycyclononyl]pyrrolidine (PubChem CID 134353390) has the molecular formula C26H49NO and a molecular weight of 391.68 g/mol. Its IUPAC name is 3-[1,5-dimethyl-5-(1-methylcyclodecyl)oxycyclononyl]pyrrolidine.

Molecular Properties

Compound Name3-[1,5-dimethyl-5-(1-methylcyclodecyl)oxycyclononyl]pyrrolidine
PubChem CID134353390
Molecular FormulaC26H49NO
Molecular Weight391.68 g/mol
Exact Mass391.38
IUPAC Name3-[1,5-dimethyl-5-(1-methylcyclodecyl)oxycyclononyl]pyrrolidine
SMILESCC1(OC2(C)CCCCC(C)(C3CCNC3)CCC2)CCCCCCCCC1
InChIInChI=1S/C26H49NO/c1-24(23-14-21-27-22-23)15-11-12-19-26(3,20-13-16-24)28-25(2)17-9-7-5-4-6-8-10-18-25/h23,27H,4-22H2,1-3H3
InChIKeyIGVIPMVLWISIDW-UHFFFAOYSA-N
XLogP7.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.68
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1,5-dimethyl-5-(1-methylcyclodecyl)oxycyclononyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1,5-dimethyl-5-(1-methylcyclodecyl)oxycyclononyl]pyrrolidine?
The IUPAC name of 3-[1,5-dimethyl-5-(1-methylcyclodecyl)oxycyclononyl]pyrrolidine (CID 134353390) is 3-[1,5-dimethyl-5-(1-methylcyclodecyl)oxycyclononyl]pyrrolidine.
What is the SMILES notation for 3-[1,5-dimethyl-5-(1-methylcyclodecyl)oxycyclononyl]pyrrolidine?
The canonical SMILES for 3-[1,5-dimethyl-5-(1-methylcyclodecyl)oxycyclononyl]pyrrolidine is CC1(OC2(C)CCCCC(C)(C3CCNC3)CCC2)CCCCCCCCC1.
What is the InChIKey of 3-[1,5-dimethyl-5-(1-methylcyclodecyl)oxycyclononyl]pyrrolidine?
The InChIKey is IGVIPMVLWISIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49NO/c1-24(23-14-21-27-22-23)15-11-12-19-26(3,20-13-16-24)28-25(2)17-9-7-5-4-6-8-10-18-25/h23,27H,4-22H2,1-3H3.
What are the key properties of 3-[1,5-dimethyl-5-(1-methylcyclodecyl)oxycyclononyl]pyrrolidine?
3-[1,5-dimethyl-5-(1-methylcyclodecyl)oxycyclononyl]pyrrolidine has a molecular weight of 391.68 g/mol, XLogP of 7.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,5-dimethyl-5-(1-methylcyclodecyl)oxycyclononyl]pyrrolidine is sourced from PubChem (CID 134353390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).