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

C15H24N2O — CID 54899981

IUPAC1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccc(CNCC2CC3CCC(C2)N3C)o1
InChIInChI=1S/C15H24N2O/c1-11-3-6-15(18-11)10-16-9-12-7-13-4-5-14(8-12)17(13)2/h3,6,12-14,16H,4-5,7-10H2,1-2H3
InChIKeyWIRQVXDKTRTOHQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.55
Rot. Bonds4

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

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine (PubChem CID 54899981) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
PubChem CID54899981
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccc(CNCC2CC3CCC(C2)N3C)o1
InChIInChI=1S/C15H24N2O/c1-11-3-6-15(18-11)10-16-9-12-7-13-4-5-14(8-12)17(13)2/h3,6,12-14,16H,4-5,7-10H2,1-2H3
InChIKeyWIRQVXDKTRTOHQ-UHFFFAOYSA-N
XLogP2.55
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine (CID 54899981) is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine is Cc1ccc(CNCC2CC3CCC(C2)N3C)o1.
What is the InChIKey of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The InChIKey is WIRQVXDKTRTOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-3-6-15(18-11)10-16-9-12-7-13-4-5-14(8-12)17(13)2/h3,6,12-14,16H,4-5,7-10H2,1-2H3.
What are the key properties of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 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-methylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 54899981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).