2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide

C16H31N3O — CID 61231954

IUPAC2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(CCC)C1CC2CCC(C1)N2
InChIInChI=1S/C16H31N3O/c1-4-8-17-16(20)12(3)19(9-5-2)15-10-13-6-7-14(11-15)18-13/h12-15,18H,4-11H2,1-3H3,(H,17,20)
InChIKeyOZDYQBZHVSJHCG-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.90
Rot. Bonds7

About 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide

2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide (PubChem CID 61231954) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide
PubChem CID61231954
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(CCC)C1CC2CCC(C1)N2
InChIInChI=1S/C16H31N3O/c1-4-8-17-16(20)12(3)19(9-5-2)15-10-13-6-7-14(11-15)18-13/h12-15,18H,4-11H2,1-3H3,(H,17,20)
InChIKeyOZDYQBZHVSJHCG-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide
CID 79112238
N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232461
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-pentan-3-ylpropanamide
CID 61230425
2-[3-aminopropyl(cyclopentyl)amino]-N-propylpropanamide
CID 43137600
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide
CID 61230707
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-butylacetamide
CID 61485502
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea
CID 61232866
2-[cyclopentyl(2-hydroxyethyl)amino]-N-pentylpropanamide
CID 62016618
2-[cyclobutyl(3-hydroxypropyl)amino]-N-pentylpropanamide
CID 102858511
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 61231358
N-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide
CID 60807515
2-[cyclopropyl(propyl)amino]propanoic acid
CID 43270597

Frequently Asked Questions

What is the IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide?
The IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide (CID 61231954) is 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide is CCCNC(=O)C(C)N(CCC)C1CC2CCC(C1)N2.
What is the InChIKey of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide?
The InChIKey is OZDYQBZHVSJHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-8-17-16(20)12(3)19(9-5-2)15-10-13-6-7-14(11-15)18-13/h12-15,18H,4-11H2,1-3H3,(H,17,20).
What are the key properties of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide?
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide has a molecular weight of 281.44 g/mol, XLogP of 1.90, 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(propyl)amino]-N-propylpropanamide is sourced from PubChem (CID 61231954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).