2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide

C14H27N3O2 — CID 61230707

IUPAC2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C14H27N3O2/c1-10(14(18)15-6-7-19-3)17(2)13-8-11-4-5-12(9-13)16-11/h10-13,16H,4-9H2,1-3H3,(H,15,18)
InChIKeyITKQCBAXKSEAHK-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.35
Rot. Bonds6

About 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide

2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 61230707) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID61230707
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C14H27N3O2/c1-10(14(18)15-6-7-19-3)17(2)13-8-11-4-5-12(9-13)16-11/h10-13,16H,4-9H2,1-3H3,(H,15,18)
InChIKeyITKQCBAXKSEAHK-UHFFFAOYSA-N
XLogP0.35
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.35
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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Frequently Asked Questions

What is the IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide (CID 61230707) is 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)N(C)C1CC2CCC(C1)N2.
What is the InChIKey of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is ITKQCBAXKSEAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(14(18)15-6-7-19-3)17(2)13-8-11-4-5-12(9-13)16-11/h10-13,16H,4-9H2,1-3H3,(H,15,18).
What are the key properties of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide?
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 269.39 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 61230707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).