N,N-dimethyl-2-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)acetamide chloride

C14H27ClN2O — CID 14600

IUPACN,N-dimethyl-2-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)acetamide chloride
SMILESCN(C)C(=O)C[NH+]1CC2CCC(C)(C1)C2(C)C.[Cl-]
InChIInChI=1S/C14H26N2O.ClH/c1-13(2)11-6-7-14(13,3)10-16(8-11)9-12(17)15(4)5;/h11H,6-10H2,1-5H3;1H
InChIKeyVONWOHLCHXFEGV-UHFFFAOYSA-N
MW274.84 g/mol
LogP-2.58
Rot. Bonds2

About N,N-dimethyl-2-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)acetamide chloride

N,N-dimethyl-2-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)acetamide chloride (PubChem CID 14600) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is N,N-dimethyl-2-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)acetamide chloride.

Molecular Properties

Compound NameN,N-dimethyl-2-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)acetamide chloride
PubChem CID14600
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC NameN,N-dimethyl-2-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)acetamide chloride
SMILESCN(C)C(=O)C[NH+]1CC2CCC(C)(C1)C2(C)C.[Cl-]
InChIInChI=1S/C14H26N2O.ClH/c1-13(2)11-6-7-14(13,3)10-16(8-11)9-12(17)15(4)5;/h11H,6-10H2,1-5H3;1H
InChIKeyVONWOHLCHXFEGV-UHFFFAOYSA-N
XLogP-2.58
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 5-2.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Azabicyclo(3.2.1)octane, 3-(N,N-dimethylglycyl)-1,8,8-trimethyl-
CID 14599
3-Azabicyclo(3.2.1)octane-3-acetamide, N,N,alpha,1,8,8-hexamethyl-, hydrochloride
CID 14626
3-Azabicyclo(3.2.1)octane, 3-(N,N-dimethylalanyl)-1,8,8-trimethyl-
CID 15526
N,N-dimethyl-2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 14601
N,N-dimethyl-2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 14627
2,4-Dioxo-N-ethyl-1,8,8-trimethyl-3-azabicyclo(3.2.1)octane-3-acetamide
CID 24833928
2,4-Dioxo-N,1,8,8-tetramethyl-3-azabicyclo(3.2.1)octane-3-acetamide
CID 24833933
N-[2-[(1R,5R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethyl]formamide
CID 139642034
2-(8-Azaspiro[4.5]decan-8-yl)-1-(1,4-diazepan-1-yl)ethanone
CID 63160396
1-(8-Azaspiro[4.5]decan-8-yl)-2-(1,4-diazepan-1-yl)ethanone
CID 63163147
1-(4-Tert-butylazepan-1-yl)-2-piperazin-1-ylethanone
CID 64354803
2-(4-Tert-butylazepan-1-yl)-1-piperazin-1-ylethanone
CID 64357125

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)acetamide chloride?
The IUPAC name of N,N-dimethyl-2-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)acetamide chloride (CID 14600) is N,N-dimethyl-2-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)acetamide chloride.
What is the SMILES notation for N,N-dimethyl-2-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)acetamide chloride?
The canonical SMILES for N,N-dimethyl-2-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)acetamide chloride is CN(C)C(=O)C[NH+]1CC2CCC(C)(C1)C2(C)C.[Cl-].
What is the InChIKey of N,N-dimethyl-2-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)acetamide chloride?
The InChIKey is VONWOHLCHXFEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-13(2)11-6-7-14(13,3)10-16(8-11)9-12(17)15(4)5;/h11H,6-10H2,1-5H3;1H.
What are the key properties of N,N-dimethyl-2-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)acetamide chloride?
N,N-dimethyl-2-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)acetamide chloride has a molecular weight of 274.84 g/mol, XLogP of -2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)acetamide chloride is sourced from PubChem (CID 14600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).