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

C16H26N2O — CID 61230349

IUPACN-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(C1CC2CCC(C1)N2)C(C)c1ccc(C)o1
InChIInChI=1S/C16H26N2O/c1-4-18(12(3)16-8-5-11(2)19-16)15-9-13-6-7-14(10-15)17-13/h5,8,12-15,17H,4,6-7,9-10H2,1-3H3
InChIKeyCILCQNZSHQZSEB-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.25
Rot. Bonds4

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

N-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61230349) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61230349
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(C1CC2CCC(C1)N2)C(C)c1ccc(C)o1
InChIInChI=1S/C16H26N2O/c1-4-18(12(3)16-8-5-11(2)19-16)15-9-13-6-7-14(10-15)17-13/h5,8,12-15,17H,4,6-7,9-10H2,1-3H3
InChIKeyCILCQNZSHQZSEB-UHFFFAOYSA-N
XLogP3.25
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 61230349) is N-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is CCN(C1CC2CCC(C1)N2)C(C)c1ccc(C)o1.
What is the InChIKey of N-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CILCQNZSHQZSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-18(12(3)16-8-5-11(2)19-16)15-9-13-6-7-14(10-15)17-13/h5,8,12-15,17H,4,6-7,9-10H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 262.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61230349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).