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

C16H31N3O — CID 61485502

IUPAC2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-butylacetamide
SMILESCCCCNC(=O)CN(CCC)C1CC2CCC(C1)N2
InChIInChI=1S/C16H31N3O/c1-3-5-8-17-16(20)12-19(9-4-2)15-10-13-6-7-14(11-15)18-13/h13-15,18H,3-12H2,1-2H3,(H,17,20)
InChIKeyHIKCLPFQJYCEPZ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.90
Rot. Bonds8

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

2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-butylacetamide (PubChem CID 61485502) 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-butylacetamide.

Molecular Properties

Compound Name2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-butylacetamide
PubChem CID61485502
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-butylacetamide
SMILESCCCCNC(=O)CN(CCC)C1CC2CCC(C1)N2
InChIInChI=1S/C16H31N3O/c1-3-5-8-17-16(20)12-19(9-4-2)15-10-13-6-7-14(11-15)18-13/h13-15,18H,3-12H2,1-2H3,(H,17,20)
InChIKeyHIKCLPFQJYCEPZ-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-(2-cyanoethyl)acetamide
CID 61231372
N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230427
N-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66046934
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(dipropylamino)propyl]acetamide;dihydrochloride
CID 119861221
3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104645056
N-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300417
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide
CID 61231954
N-(3-methoxypropyl)-2-[piperidin-3-yl(propyl)amino]acetamide
CID 63637518
N-butyl-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 55245115
N-butyl-2-(dipropylamino)acetamide
CID 54817378
N-ethyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60807335
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea
CID 61232866

Frequently Asked Questions

What is the IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-butylacetamide?
The IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-butylacetamide (CID 61485502) is 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-butylacetamide.
What is the SMILES notation for 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-butylacetamide?
The canonical SMILES for 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-butylacetamide is CCCCNC(=O)CN(CCC)C1CC2CCC(C1)N2.
What is the InChIKey of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-butylacetamide?
The InChIKey is HIKCLPFQJYCEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-5-8-17-16(20)12-19(9-4-2)15-10-13-6-7-14(11-15)18-13/h13-15,18H,3-12H2,1-2H3,(H,17,20).
What are the key properties of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-butylacetamide?
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-butylacetamide has a molecular weight of 281.44 g/mol, XLogP of 1.90, 8 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-butylacetamide is sourced from PubChem (CID 61485502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).