2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide

C16H31N3O — CID 103188749

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
SMILESCCN(C(=O)CC1CC2CCC(C1)N2)C(C)CN(C)C
InChIInChI=1S/C16H31N3O/c1-5-19(12(2)11-18(3)4)16(20)10-13-8-14-6-7-15(9-13)17-14/h12-15,17H,5-11H2,1-4H3
InChIKeyBVWMVQRJOXQVLZ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide (PubChem CID 103188749) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
PubChem CID103188749
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
SMILESCCN(C(=O)CC1CC2CCC(C1)N2)C(C)CN(C)C
InChIInChI=1S/C16H31N3O/c1-5-19(12(2)11-18(3)4)16(20)10-13-8-14-6-7-15(9-13)17-14/h12-15,17H,5-11H2,1-4H3
InChIKeyBVWMVQRJOXQVLZ-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-pyrrolidin-3-ylacetamide
CID 103188746
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119737221
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 79615177
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-[3-(dimethylamino)propyl]-N-methylacetamide
CID 79615612
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride
CID 119729654
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-butyl-N-(1-phenylethyl)acetamide
CID 119797627
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 119795544
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-cyclooctyl-N-methylacetamide;hydrochloride
CID 119763862

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide (CID 103188749) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide is CCN(C(=O)CC1CC2CCC(C1)N2)C(C)CN(C)C.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide?
The InChIKey is BVWMVQRJOXQVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-5-19(12(2)11-18(3)4)16(20)10-13-8-14-6-7-15(9-13)17-14/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide has a molecular weight of 281.44 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide is sourced from PubChem (CID 103188749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).