2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-pentan-3-ylpropanamide

C17H33N3O — CID 61230425

IUPAC2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C17H33N3O/c1-5-13(6-2)19-17(21)12(4)20(7-3)16-10-14-8-9-15(11-16)18-14/h12-16,18H,5-11H2,1-4H3,(H,19,21)
InChIKeyHWKHWJJPXQJWGP-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.28
Rot. Bonds7

About 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-pentan-3-ylpropanamide

2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-pentan-3-ylpropanamide (PubChem CID 61230425) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-pentan-3-ylpropanamide
PubChem CID61230425
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C17H33N3O/c1-5-13(6-2)19-17(21)12(4)20(7-3)16-10-14-8-9-15(11-16)18-14/h12-16,18H,5-11H2,1-4H3,(H,19,21)
InChIKeyHWKHWJJPXQJWGP-UHFFFAOYSA-N
XLogP2.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 61231358
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide
CID 61231954
N-ethyl-N-pentan-3-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232830
2-[azetidin-3-yl(ethyl)amino]-N-butan-2-ylpropanamide
CID 66181522
N-(1-cyclopropylpropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 113490124
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
CID 79608095
2-[ethyl(piperidin-3-yl)amino]-N-propan-2-ylpropanamide
CID 63636253
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methylpentanoic acid
CID 79607263
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylpentanamide
CID 114875579
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide
CID 61231318
N-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61232068
N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232461

Frequently Asked Questions

What is the IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-pentan-3-ylpropanamide (CID 61230425) is 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)N(CC)C1CC2CCC(C1)N2.
What is the InChIKey of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-pentan-3-ylpropanamide?
The InChIKey is HWKHWJJPXQJWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-5-13(6-2)19-17(21)12(4)20(7-3)16-10-14-8-9-15(11-16)18-14/h12-16,18H,5-11H2,1-4H3,(H,19,21).
What are the key properties of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-pentan-3-ylpropanamide?
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-pentan-3-ylpropanamide has a molecular weight of 295.47 g/mol, XLogP of 2.28, 7 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(ethyl)amino]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 61230425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).