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

C21H38ClNO2 — CID 2750729

IUPACmethyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium chloride
SMILESCC1CCC(C)(C(=O)[NH+](C)C(=O)C2(C)CCC(C)C2(C)C)C1(C)C.[Cl-]
InChIInChI=1S/C21H37NO2.ClH/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;1H
InChIKeyLLKYCOLIIYKFDZ-UHFFFAOYSA-N
MW371.99 g/mol
LogP0.48
Rot. Bonds2

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

methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium chloride (PubChem CID 2750729) has the molecular formula C21H38ClNO2 and a molecular weight of 371.99 g/mol. Its IUPAC name is methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium chloride.

Molecular Properties

Compound Namemethyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium chloride
PubChem CID2750729
Molecular FormulaC21H38ClNO2
Molecular Weight371.99 g/mol
Exact Mass371.26
IUPAC Namemethyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium chloride
SMILESCC1CCC(C)(C(=O)[NH+](C)C(=O)C2(C)CCC(C)C2(C)C)C1(C)C.[Cl-]
InChIInChI=1S/C21H37NO2.ClH/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;1H
InChIKeyLLKYCOLIIYKFDZ-UHFFFAOYSA-N
XLogP0.48
TPSA38.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.99
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-acetyl-1,2,2,3-tetramethyl-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 59833106
cyclopentane;N-cyclopentyl-2,4,5,6-tetramethyl-4-(3-methylbutan-2-yl)heptanamide
CID 91046285
3-tert-butyl-N-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 134402035
(3S)-3-tert-butyl-N-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 134402040
(3R)-3-tert-butyl-N-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 134402042
3-tert-butyl-N-[4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 134403412
(3S)-3-tert-butyl-N-[4-(3-ethyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 134403532
ethane;N-ethyl-2-methylcyclopentane-1-carboxamide;N,N,2-trimethylcyclopentane-1-carboxamide
CID 143679863
(2S)-2-[(2R,6aS)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]-N-methylpropanamide;molecular hydrogen;propane
CID 144913058
N,1,2,2,3-pentamethyl-N-(1,2,2,3-tetramethylcyclopentanecarbonyl)cyclopentane-1-carboxamide
CID 2750730
Methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium
CID 3952272
cis-(1R,3S)-N,1,2,2,3-pentamethyl-N-[(1R,3R)-1,2,2,3-tetramethylcyclopentanecarbonyl]cyclopentane-1-carboxamide
CID 7054255

Frequently Asked Questions

What is the IUPAC name of methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium chloride?
The IUPAC name of methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium chloride (CID 2750729) is methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium chloride.
What is the SMILES notation for methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium chloride?
The canonical SMILES for methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium chloride is CC1CCC(C)(C(=O)[NH+](C)C(=O)C2(C)CCC(C)C2(C)C)C1(C)C.[Cl-].
What is the InChIKey of methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium chloride?
The InChIKey is LLKYCOLIIYKFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO2.ClH/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;1H.
What are the key properties of methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium chloride?
methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium chloride has a molecular weight of 371.99 g/mol, XLogP of 0.48, 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 chloride is sourced from PubChem (CID 2750729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).