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

C16H29ClN2O — CID 119759233

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopentylmethyl)-N-methylacetamide;hydrochloride
SMILESCN(CC1CCCC1)C(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C16H28N2O.ClH/c1-18(11-12-4-2-3-5-12)16(19)10-13-8-14-6-7-15(9-13)17-14;/h12-15,17H,2-11H2,1H3;1H
InChIKeyIKSKRFOLLPUSGI-UHFFFAOYSA-N
MW300.87 g/mol
LogP2.98
Rot. Bonds4

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopentylmethyl)-N-methylacetamide;hydrochloride (PubChem CID 119759233) has the molecular formula C16H29ClN2O and a molecular weight of 300.87 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopentylmethyl)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopentylmethyl)-N-methylacetamide;hydrochloride
PubChem CID119759233
Molecular FormulaC16H29ClN2O
Molecular Weight300.87 g/mol
Exact Mass300.20
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopentylmethyl)-N-methylacetamide;hydrochloride
SMILESCN(CC1CCCC1)C(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C16H28N2O.ClH/c1-18(11-12-4-2-3-5-12)16(19)10-13-8-14-6-7-15(9-13)17-14;/h12-15,17H,2-11H2,1H3;1H
InChIKeyIKSKRFOLLPUSGI-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.87
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid
CID 79607520
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclooctyl-N-methylacetamide;hydrochloride
CID 119763862
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylacetamide
CID 79611059
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
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide
CID 79607336
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 79610320
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopropylmethyl)-N-propylacetamide;hydrochloride
CID 119676711
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride
CID 119729654
2-cyclobutyl-N-[(3-hydroxycyclobutyl)methyl]-N-methylacetamide
CID 102737604
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide;hydrochloride
CID 119726228
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide;hydrochloride
CID 119801110

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopentylmethyl)-N-methylacetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopentylmethyl)-N-methylacetamide;hydrochloride (CID 119759233) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopentylmethyl)-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopentylmethyl)-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopentylmethyl)-N-methylacetamide;hydrochloride is CN(CC1CCCC1)C(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopentylmethyl)-N-methylacetamide;hydrochloride?
The InChIKey is IKSKRFOLLPUSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O.ClH/c1-18(11-12-4-2-3-5-12)16(19)10-13-8-14-6-7-15(9-13)17-14;/h12-15,17H,2-11H2,1H3;1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopentylmethyl)-N-methylacetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopentylmethyl)-N-methylacetamide;hydrochloride has a molecular weight of 300.87 g/mol, XLogP of 2.98, 4 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-(cyclopentylmethyl)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119759233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).