methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium

C21H38NO2+ — CID 3952272

IUPACmethyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium
SMILESCC1CCC(C)(C(=O)[NH+](C)C(=O)C2(C)CCC(C)C2(C)C)C1(C)C
InChIInChI=1S/C21H37NO2/c1-14-10-12-20(7,18(14,3)4)16(23)22(9)17(24)21(8)13-11-15(2)19(21,5)6/h14-15H,10-13H2,1-9H3/p+1
InChIKeyBHUKNCSDHSSDAL-UHFFFAOYSA-O
MW336.54 g/mol
LogP3.48
Rot. Bonds2

About methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium

methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium (PubChem CID 3952272) has the molecular formula C21H38NO2+ and a molecular weight of 336.54 g/mol. Its IUPAC name is methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium.

Molecular Properties

Compound Namemethyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium
PubChem CID3952272
Molecular FormulaC21H38NO2+
Molecular Weight336.54 g/mol
Exact Mass336.29
IUPAC Namemethyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium
SMILESCC1CCC(C)(C(=O)[NH+](C)C(=O)C2(C)CCC(C)C2(C)C)C1(C)C
InChIInChI=1S/C21H37NO2/c1-14-10-12-20(7,18(14,3)4)16(23)22(9)17(24)21(8)13-11-15(2)19(21,5)6/h14-15H,10-13H2,1-9H3/p+1
InChIKeyBHUKNCSDHSSDAL-UHFFFAOYSA-O
XLogP3.48
TPSA38.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.54
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium 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 methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium?
The IUPAC name of methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium (CID 3952272) is methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium.
What is the SMILES notation for methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium?
The canonical SMILES for methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium is CC1CCC(C)(C(=O)[NH+](C)C(=O)C2(C)CCC(C)C2(C)C)C1(C)C.
What is the InChIKey of methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium?
The InChIKey is BHUKNCSDHSSDAL-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H37NO2/c1-14-10-12-20(7,18(14,3)4)16(23)22(9)17(24)21(8)13-11-15(2)19(21,5)6/h14-15H,10-13H2,1-9H3/p+1.
What are the key properties of methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium?
methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium has a molecular weight of 336.54 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium is sourced from PubChem (CID 3952272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).