2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide

C16H29N3O — CID 105417257

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
SMILESCN(C)C1(CNC(=O)CC2CC3CCC(C2)N3)CCC1
InChIInChI=1S/C16H29N3O/c1-19(2)16(6-3-7-16)11-17-15(20)10-12-8-13-4-5-14(9-12)18-13/h12-14,18H,3-11H2,1-2H3,(H,17,20)
InChIKeyWTYFQTFUIJUXRH-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.51
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide (PubChem CID 105417257) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
PubChem CID105417257
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
SMILESCN(C)C1(CNC(=O)CC2CC3CCC(C2)N3)CCC1
InChIInChI=1S/C16H29N3O/c1-19(2)16(6-3-7-16)11-17-15(20)10-12-8-13-4-5-14(9-12)18-13/h12-14,18H,3-11H2,1-2H3,(H,17,20)
InChIKeyWTYFQTFUIJUXRH-UHFFFAOYSA-N
XLogP1.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide (CID 105417257) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide is CN(C)C1(CNC(=O)CC2CC3CCC(C2)N3)CCC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide?
The InChIKey is WTYFQTFUIJUXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-19(2)16(6-3-7-16)11-17-15(20)10-12-8-13-4-5-14(9-12)18-13/h12-14,18H,3-11H2,1-2H3,(H,17,20).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide has a molecular weight of 279.43 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 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)cyclobutyl]methyl]acetamide is sourced from PubChem (CID 105417257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).