2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone

C17H31N3O — CID 61232607

IUPAC2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone
SMILESCN(CC(=O)N1CCCCCCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H31N3O/c1-19(16-11-14-7-8-15(12-16)18-14)13-17(21)20-9-5-3-2-4-6-10-20/h14-16,18H,2-13H2,1H3
InChIKeyLYKXVOUWYIVBQR-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.99
Rot. Bonds3

About 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone

2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone (PubChem CID 61232607) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone.

Molecular Properties

Compound Name2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone
PubChem CID61232607
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone
SMILESCN(CC(=O)N1CCCCCCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H31N3O/c1-19(16-11-14-7-8-15(12-16)18-14)13-17(21)20-9-5-3-2-4-6-10-20/h14-16,18H,2-13H2,1H3
InChIKeyLYKXVOUWYIVBQR-UHFFFAOYSA-N
XLogP1.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone
CID 63301733
1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 43607197
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 175826777
1-(azepan-1-yl)-2-[methyl(pyrrolidin-3-yl)amino]ethanone;hydrochloride
CID 119922846
2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride
CID 119913231
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpiperidine-1-carboxamide
CID 79155280
2-[azepan-3-yl(methyl)amino]-1-pyrrolidin-1-ylethanone
CID 114218547
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 79610320
1-(azepan-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 109001842
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 114762459
3,3-dimethyl-1-[4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-1-yl]butan-1-one
CID 140912225

Frequently Asked Questions

What is the IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone?
The IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone (CID 61232607) is 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone.
What is the SMILES notation for 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone?
The canonical SMILES for 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone is CN(CC(=O)N1CCCCCCC1)C1CC2CCC(C1)N2.
What is the InChIKey of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone?
The InChIKey is LYKXVOUWYIVBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-19(16-11-14-7-8-15(12-16)18-14)13-17(21)20-9-5-3-2-4-6-10-20/h14-16,18H,2-13H2,1H3.
What are the key properties of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone?
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone has a molecular weight of 293.45 g/mol, XLogP of 1.99, 3 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(methyl)amino]-1-(azocan-1-yl)ethanone is sourced from PubChem (CID 61232607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).