2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclooctyl-N-methylacetamide;hydrochloride

C18H33ClN2O — CID 119763862

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclooctyl-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CC1CC2CCC(C1)N2)C1CCCCCCC1.Cl
InChIInChI=1S/C18H32N2O.ClH/c1-20(17-7-5-3-2-4-6-8-17)18(21)13-14-11-15-9-10-16(12-14)19-15;/h14-17,19H,2-13H2,1H3;1H
InChIKeyALPYAOTVWKVFIV-UHFFFAOYSA-N
MW328.93 g/mol
LogP3.90
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclooctyl-N-methylacetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclooctyl-N-methylacetamide;hydrochloride (PubChem CID 119763862) has the molecular formula C18H33ClN2O and a molecular weight of 328.93 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclooctyl-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclooctyl-N-methylacetamide;hydrochloride
PubChem CID119763862
Molecular FormulaC18H33ClN2O
Molecular Weight328.93 g/mol
Exact Mass328.23
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclooctyl-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CC1CC2CCC(C1)N2)C1CCCCCCC1.Cl
InChIInChI=1S/C18H32N2O.ClH/c1-20(17-7-5-3-2-4-6-8-17)18(21)13-14-11-15-9-10-16(12-14)19-15;/h14-17,19H,2-13H2,1H3;1H
InChIKeyALPYAOTVWKVFIV-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.93
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 79607861
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopentylmethyl)-N-methylacetamide;hydrochloride
CID 119759233
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride
CID 119729654
2-(azetidin-3-yl)-N-cyclobutyl-N-methylacetamide
CID 115739566
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid
CID 79607520
2-cyclohexyl-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260670
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119868601
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(dimethylamino)propyl]-N-methylacetamide
CID 79615612
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylacetamide
CID 105417599
N-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide
CID 81490380
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 65160337
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide;hydrochloride
CID 119702279

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclooctyl-N-methylacetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclooctyl-N-methylacetamide;hydrochloride (CID 119763862) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclooctyl-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclooctyl-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclooctyl-N-methylacetamide;hydrochloride is CN(C(=O)CC1CC2CCC(C1)N2)C1CCCCCCC1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclooctyl-N-methylacetamide;hydrochloride?
The InChIKey is ALPYAOTVWKVFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O.ClH/c1-20(17-7-5-3-2-4-6-8-17)18(21)13-14-11-15-9-10-16(12-14)19-15;/h14-17,19H,2-13H2,1H3;1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclooctyl-N-methylacetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclooctyl-N-methylacetamide;hydrochloride has a molecular weight of 328.93 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclooctyl-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119763862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).