1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine

C16H26N2OS — CID 61011504

IUPAC1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine
SMILESCSCc1ccc(CNCC2CC3CCC(C2)N3C)o1
InChIInChI=1S/C16H26N2OS/c1-18-13-3-4-14(18)8-12(7-13)9-17-10-15-5-6-16(19-15)11-20-2/h5-6,12-14,17H,3-4,7-11H2,1-2H3
InChIKeyIGNTWSHPWQTHAZ-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.11
Rot. Bonds6

About 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine (PubChem CID 61011504) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine
PubChem CID61011504
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine
SMILESCSCc1ccc(CNCC2CC3CCC(C2)N3C)o1
InChIInChI=1S/C16H26N2OS/c1-18-13-3-4-14(18)8-12(7-13)9-17-10-15-5-6-16(19-15)11-20-2/h5-6,12-14,17H,3-4,7-11H2,1-2H3
InChIKeyIGNTWSHPWQTHAZ-UHFFFAOYSA-N
XLogP3.11
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine?
The IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine (CID 61011504) is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine?
The canonical SMILES for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine is CSCc1ccc(CNCC2CC3CCC(C2)N3C)o1.
What is the InChIKey of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine?
The InChIKey is IGNTWSHPWQTHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-18-13-3-4-14(18)8-12(7-13)9-17-10-15-5-6-16(19-15)11-20-2/h5-6,12-14,17H,3-4,7-11H2,1-2H3.
What are the key properties of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine?
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine has a molecular weight of 294.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine is sourced from PubChem (CID 61011504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).