dimethyl-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanoyl]azanium chloride

C15H29ClN2O — CID 14626

IUPACdimethyl-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanoyl]azanium chloride
SMILESCC(C(=O)[NH+](C)C)N1CC2CCC(C)(C1)C2(C)C.[Cl-]
InChIInChI=1S/C15H28N2O.ClH/c1-11(13(18)16(5)6)17-9-12-7-8-15(4,10-17)14(12,2)3;/h11-12H,7-10H2,1-6H3;1H
InChIKeyFUFXZQJRHZXUPV-UHFFFAOYSA-N
MW288.86 g/mol
LogP-2.19
Rot. Bonds2

About dimethyl-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanoyl]azanium chloride

dimethyl-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanoyl]azanium chloride (PubChem CID 14626) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is dimethyl-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanoyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanoyl]azanium chloride
PubChem CID14626
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC Namedimethyl-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanoyl]azanium chloride
SMILESCC(C(=O)[NH+](C)C)N1CC2CCC(C)(C1)C2(C)C.[Cl-]
InChIInChI=1S/C15H28N2O.ClH/c1-11(13(18)16(5)6)17-9-12-7-8-15(4,10-17)14(12,2)3;/h11-12H,7-10H2,1-6H3;1H
InChIKeyFUFXZQJRHZXUPV-UHFFFAOYSA-N
XLogP-2.19
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 5-2.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanoyl]azanium chloride?
The IUPAC name of dimethyl-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanoyl]azanium chloride (CID 14626) is dimethyl-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanoyl]azanium chloride.
What is the SMILES notation for dimethyl-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanoyl]azanium chloride?
The canonical SMILES for dimethyl-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanoyl]azanium chloride is CC(C(=O)[NH+](C)C)N1CC2CCC(C)(C1)C2(C)C.[Cl-].
What is the InChIKey of dimethyl-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanoyl]azanium chloride?
The InChIKey is FUFXZQJRHZXUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-11(13(18)16(5)6)17-9-12-7-8-15(4,10-17)14(12,2)3;/h11-12H,7-10H2,1-6H3;1H.
What are the key properties of dimethyl-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanoyl]azanium chloride?
dimethyl-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanoyl]azanium chloride has a molecular weight of 288.86 g/mol, XLogP of -2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanoyl]azanium chloride is sourced from PubChem (CID 14626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).