8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine

C16H24N2O — CID 43131794

IUPAC8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NC1CCCc3occc31)C2
InChIInChI=1S/C16H24N2O/c1-18-12-5-6-13(18)10-11(9-12)17-15-3-2-4-16-14(15)7-8-19-16/h7-8,11-13,15,17H,2-6,9-10H2,1H3
InChIKeyFXWYKRSSDUOYOD-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.87
Rot. Bonds2

About 8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine

8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43131794) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43131794
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NC1CCCc3occc31)C2
InChIInChI=1S/C16H24N2O/c1-18-12-5-6-13(18)10-11(9-12)17-15-3-2-4-16-14(15)7-8-19-16/h7-8,11-13,15,17H,2-6,9-10H2,1H3
InChIKeyFXWYKRSSDUOYOD-UHFFFAOYSA-N
XLogP2.87
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 64724815
1-propyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-4-amine
CID 43208258
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine
CID 79725054
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol
CID 113315107
1-propyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)azepan-4-amine
CID 65074136
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyrrolidin-2-one
CID 106184665
N-(2-methylcycloheptyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315213
N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466646
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466591
N-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 82712185
N-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104827925
N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103777363

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 43131794) is 8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(NC1CCCc3occc31)C2.
What is the InChIKey of 8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is FXWYKRSSDUOYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18-12-5-6-13(18)10-11(9-12)17-15-3-2-4-16-14(15)7-8-19-16/h7-8,11-13,15,17H,2-6,9-10H2,1H3.
What are the key properties of 8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 260.38 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43131794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).