methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate

C16H24N2O3 — CID 65471978

IUPACmethyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC2CC3CCCC(C2)N3C)o1
InChIInChI=1S/C16H24N2O3/c1-18-12-4-3-5-13(18)9-11(8-12)17-10-14-6-7-15(21-14)16(19)20-2/h6-7,11-13,17H,3-5,8-10H2,1-2H3
InChIKeyKYHFWYXNBSHOFN-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.17
Rot. Bonds4

About methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate

methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate (PubChem CID 65471978) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate
PubChem CID65471978
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC2CC3CCCC(C2)N3C)o1
InChIInChI=1S/C16H24N2O3/c1-18-12-4-3-5-13(18)9-11(8-12)17-10-14-6-7-15(21-14)16(19)20-2/h6-7,11-13,17H,3-5,8-10H2,1-2H3
InChIKeyKYHFWYXNBSHOFN-UHFFFAOYSA-N
XLogP2.17
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate (CID 65471978) is methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNC2CC3CCCC(C2)N3C)o1.
What is the InChIKey of methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate?
The InChIKey is KYHFWYXNBSHOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-18-12-4-3-5-13(18)9-11(8-12)17-10-14-6-7-15(21-14)16(19)20-2/h6-7,11-13,17H,3-5,8-10H2,1-2H3.
What are the key properties of methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate?
methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 65471978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).