1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(furan-2-yl)propan-1-one

C14H20N2O2 — CID 61236291

IUPAC1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(furan-2-yl)propan-1-one
SMILESNC1CC2CCC(C1)N2C(=O)CCc1ccco1
InChIInChI=1S/C14H20N2O2/c15-10-8-11-3-4-12(9-10)16(11)14(17)6-5-13-2-1-7-18-13/h1-2,7,10-12H,3-6,8-9,15H2
InChIKeyCURLRPJIKWLZBW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.69
Rot. Bonds3

About 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(furan-2-yl)propan-1-one

1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(furan-2-yl)propan-1-one (PubChem CID 61236291) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(furan-2-yl)propan-1-one
PubChem CID61236291
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(furan-2-yl)propan-1-one
SMILESNC1CC2CCC(C1)N2C(=O)CCc1ccco1
InChIInChI=1S/C14H20N2O2/c15-10-8-11-3-4-12(9-10)16(11)14(17)6-5-13-2-1-7-18-13/h1-2,7,10-12H,3-6,8-9,15H2
InChIKeyCURLRPJIKWLZBW-UHFFFAOYSA-N
XLogP1.69
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(furan-2-yl)propan-1-one 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

1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(2-methylphenyl)propan-1-one
CID 62366592
N-(3-aminocyclobutyl)-3-(furan-2-yl)propanamide
CID 43594940
(2S,3aR,7aR)-1-[3-(furan-2-yl)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124836420
(2S,3aS,7aR)-1-[3-(furan-2-yl)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124836421
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 62062665
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(3-methylphenyl)propan-1-one
CID 62366418
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 114802131
1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 55210563
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 103352230
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 54923480
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one
CID 130002803
1-cyclobutyl-3-(furan-2-yl)propan-1-one
CID 105133720

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(furan-2-yl)propan-1-one (CID 61236291) is 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(furan-2-yl)propan-1-one is NC1CC2CCC(C1)N2C(=O)CCc1ccco1.
What is the InChIKey of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(furan-2-yl)propan-1-one?
The InChIKey is CURLRPJIKWLZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-10-8-11-3-4-12(9-10)16(11)14(17)6-5-13-2-1-7-18-13/h1-2,7,10-12H,3-6,8-9,15H2.
What are the key properties of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(furan-2-yl)propan-1-one?
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(furan-2-yl)propan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 61236291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).