8-benzyl-N-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C20H26N2O — CID 119128790

IUPAC8-benzyl-N-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1ccc(CNC2CC3CCC(C2)N3Cc2ccccc2)o1
InChIInChI=1S/C20H26N2O/c1-15-7-10-20(23-15)13-21-17-11-18-8-9-19(12-17)22(18)14-16-5-3-2-4-6-16/h2-7,10,17-19,21H,8-9,11-14H2,1H3
InChIKeyGINVSNPFFAQAKF-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.87
Rot. Bonds5

About 8-benzyl-N-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

8-benzyl-N-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 119128790) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 8-benzyl-N-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-benzyl-N-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID119128790
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name8-benzyl-N-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1ccc(CNC2CC3CCC(C2)N3Cc2ccccc2)o1
InChIInChI=1S/C20H26N2O/c1-15-7-10-20(23-15)13-21-17-11-18-8-9-19(12-17)22(18)14-16-5-3-2-4-6-16/h2-7,10,17-19,21H,8-9,11-14H2,1H3
InChIKeyGINVSNPFFAQAKF-UHFFFAOYSA-N
XLogP3.87
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-benzyl-N-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471793
8-benzyl-N-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine
CID 118993423
8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 119128786
N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 20649394
(1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 750316
8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane
CID 154275315
[1-[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]-3-phenylcyclobutyl]methanol
CID 167960422
4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid
CID 122084433
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
N-[(5-methylfuran-2-yl)methyl]oxan-3-amine
CID 63360041
N-[(5-methylfuran-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 55023953
3-ethyl-N-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine
CID 64500285

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-N-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-benzyl-N-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 119128790) is 8-benzyl-N-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-benzyl-N-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-benzyl-N-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is Cc1ccc(CNC2CC3CCC(C2)N3Cc2ccccc2)o1.
What is the InChIKey of 8-benzyl-N-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is GINVSNPFFAQAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15-7-10-20(23-15)13-21-17-11-18-8-9-19(12-17)22(18)14-16-5-3-2-4-6-16/h2-7,10,17-19,21H,8-9,11-14H2,1H3.
What are the key properties of 8-benzyl-N-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-benzyl-N-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 310.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-N-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 119128790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).