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

C15H26N4O — CID 61231372

IUPAC2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-(2-cyanoethyl)acetamide
SMILESCCCN(CC(=O)NCCC#N)C1CC2CCC(C1)N2
InChIInChI=1S/C15H26N4O/c1-2-8-19(11-15(20)17-7-3-6-16)14-9-12-4-5-13(10-14)18-12/h12-14,18H,2-5,7-11H2,1H3,(H,17,20)
InChIKeyDUJXMVNPSBUYNU-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.01
Rot. Bonds7

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

2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-(2-cyanoethyl)acetamide (PubChem CID 61231372) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-(2-cyanoethyl)acetamide
PubChem CID61231372
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-(2-cyanoethyl)acetamide
SMILESCCCN(CC(=O)NCCC#N)C1CC2CCC(C1)N2
InChIInChI=1S/C15H26N4O/c1-2-8-19(11-15(20)17-7-3-6-16)14-9-12-4-5-13(10-14)18-12/h12-14,18H,2-5,7-11H2,1H3,(H,17,20)
InChIKeyDUJXMVNPSBUYNU-UHFFFAOYSA-N
XLogP1.01
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-(2-cyanoethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-butylacetamide
CID 61485502
N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63301073
N-(2-cyanoethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102677016
N-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66046934
N-(2-cyanoethyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
CID 106636144
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[ethyl(propyl)amino]ethyl]acetamide
CID 103814955
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(dipropylamino)propyl]acetamide;dihydrochloride
CID 119861221
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
3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104645056
N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230427
N-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62311570

Frequently Asked Questions

What is the IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-(2-cyanoethyl)acetamide (CID 61231372) is 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-(2-cyanoethyl)acetamide is CCCN(CC(=O)NCCC#N)C1CC2CCC(C1)N2.
What is the InChIKey of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-(2-cyanoethyl)acetamide?
The InChIKey is DUJXMVNPSBUYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-8-19(11-15(20)17-7-3-6-16)14-9-12-4-5-13(10-14)18-12/h12-14,18H,2-5,7-11H2,1H3,(H,17,20).
What are the key properties of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-(2-cyanoethyl)acetamide?
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-(2-cyanoethyl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 61231372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).