1-cyclodecyl-1-methylpyrrolidin-1-ium

C15H30N+ — CID 20725318

IUPAC1-cyclodecyl-1-methylpyrrolidin-1-ium
SMILESC[N+]1(C2CCCCCCCCC2)CCCC1
InChIInChI=1S/C15H30N/c1-16(13-9-10-14-16)15-11-7-5-3-2-4-6-8-12-15/h15H,2-14H2,1H3/q+1
InChIKeyPMRXESWYLLBRHE-UHFFFAOYSA-N
MW224.41 g/mol
LogP4.12
Rot. Bonds1

About 1-cyclodecyl-1-methylpyrrolidin-1-ium

1-cyclodecyl-1-methylpyrrolidin-1-ium (PubChem CID 20725318) has the molecular formula C15H30N+ and a molecular weight of 224.41 g/mol. Its IUPAC name is 1-cyclodecyl-1-methylpyrrolidin-1-ium.

Molecular Properties

Compound Name1-cyclodecyl-1-methylpyrrolidin-1-ium
PubChem CID20725318
Molecular FormulaC15H30N+
Molecular Weight224.41 g/mol
Exact Mass224.24
IUPAC Name1-cyclodecyl-1-methylpyrrolidin-1-ium
SMILESC[N+]1(C2CCCCCCCCC2)CCCC1
InChIInChI=1S/C15H30N/c1-16(13-9-10-14-16)15-11-7-5-3-2-4-6-8-12-15/h15H,2-14H2,1H3/q+1
InChIKeyPMRXESWYLLBRHE-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-cyclodecyl-1-methylpyrrolidin-1-ium with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-1-methyl-2-tetradecylpyrrolidine
CID 461557
1-Methyl-1-octylpyrrolidinium bromide
CID 20435526
1-Methyl-1-octylpyrrolidin-1-ium
CID 20435527
2-Butyl-1-methylpyrrolidine
CID 558513
(2S)-1-methyl-2-tetradecylpyrrolidine
CID 11196781
1-Butyl-2-methylpyrrolidine
CID 10909668
1-Methyl-2-propylpyrrolidine
CID 12411600
2-Octaneamine, N,N-diethyl
CID 17937714
Pyrrolidine, 2-dodecyl-1-methyl-
CID 558658
2-tetradecyl 1-N-methylpyrrolidine
CID 24796983
1-Heptylpyrrolidine
CID 66835347
Pyrrolidine, 2-bytyl-1-methyl-5-nonyl-
CID 587883

Frequently Asked Questions

What is the IUPAC name of 1-cyclodecyl-1-methylpyrrolidin-1-ium?
The IUPAC name of 1-cyclodecyl-1-methylpyrrolidin-1-ium (CID 20725318) is 1-cyclodecyl-1-methylpyrrolidin-1-ium.
What is the SMILES notation for 1-cyclodecyl-1-methylpyrrolidin-1-ium?
The canonical SMILES for 1-cyclodecyl-1-methylpyrrolidin-1-ium is C[N+]1(C2CCCCCCCCC2)CCCC1.
What is the InChIKey of 1-cyclodecyl-1-methylpyrrolidin-1-ium?
The InChIKey is PMRXESWYLLBRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N/c1-16(13-9-10-14-16)15-11-7-5-3-2-4-6-8-12-15/h15H,2-14H2,1H3/q+1.
What are the key properties of 1-cyclodecyl-1-methylpyrrolidin-1-ium?
1-cyclodecyl-1-methylpyrrolidin-1-ium has a molecular weight of 224.41 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclodecyl-1-methylpyrrolidin-1-ium is sourced from PubChem (CID 20725318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).