2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide

C12H23N3O2 — CID 106235673

IUPAC2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide
SMILESCN1C2CCC1CC(NCCOCC(N)=O)C2
InChIInChI=1S/C12H23N3O2/c1-15-10-2-3-11(15)7-9(6-10)14-4-5-17-8-12(13)16/h9-11,14H,2-8H2,1H3,(H2,13,16)
InChIKeySUSOLBXPDLMUIY-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.30
Rot. Bonds6

About 2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide

2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide (PubChem CID 106235673) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide
PubChem CID106235673
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide
SMILESCN1C2CCC1CC(NCCOCC(N)=O)C2
InChIInChI=1S/C12H23N3O2/c1-15-10-2-3-11(15)7-9(6-10)14-4-5-17-8-12(13)16/h9-11,14H,2-8H2,1H3,(H2,13,16)
InChIKeySUSOLBXPDLMUIY-UHFFFAOYSA-N
XLogP-0.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4-propan-2-ylcyclohexyl)amino]ethoxy]acetamide
CID 106236541
2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide
CID 106235196
2-[2-[(4-methylcycloheptyl)amino]ethoxy]acetamide
CID 106235412
2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide
CID 106236546
2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide
CID 106239219
ethyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]cyclohexane-1-carboxylate
CID 106235025
2-[2-[(2-ethyloxan-4-yl)amino]ethoxy]acetamide
CID 106236551
tert-butyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]pyrrolidine-1-carboxylate
CID 106235434
tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate
CID 107093592
2-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethoxy]acetamide
CID 114162148
2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide
CID 43711137
2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]acetamide
CID 106239226

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide (CID 106235673) is 2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide is CN1C2CCC1CC(NCCOCC(N)=O)C2.
What is the InChIKey of 2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide?
The InChIKey is SUSOLBXPDLMUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-15-10-2-3-11(15)7-9(6-10)14-4-5-17-8-12(13)16/h9-11,14H,2-8H2,1H3,(H2,13,16).
What are the key properties of 2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide?
2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide has a molecular weight of 241.33 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 106235673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).