2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide

C15H28N2O — CID 79607336

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide
SMILESCCCCCN(C)C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H28N2O/c1-3-4-5-8-17(2)15(18)11-12-9-13-6-7-14(10-12)16-13/h12-14,16H,3-11H2,1-2H3
InChIKeyOUEJDXIKTQTJGZ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.56
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide (PubChem CID 79607336) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide
PubChem CID79607336
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide
SMILESCCCCCN(C)C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H28N2O/c1-3-4-5-8-17(2)15(18)11-12-9-13-6-7-14(10-12)16-13/h12-14,16H,3-11H2,1-2H3
InChIKeyOUEJDXIKTQTJGZ-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-N-methyl-N-pentylacetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide (CID 79607336) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide is CCCCCN(C)C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide?
The InChIKey is OUEJDXIKTQTJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-4-5-8-17(2)15(18)11-12-9-13-6-7-14(10-12)16-13/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide has a molecular weight of 252.40 g/mol, XLogP of 2.56, 6 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-methyl-N-pentylacetamide is sourced from PubChem (CID 79607336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).