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

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

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

Launch Full Analysis

Related Compounds

2-(5-Methyl-2-furanyl)pyrrolidine
CID 4715419
2-(Furan-2-yl)pyrrolidine
CID 3675988
2-(Furan-2-yl)piperidine
CID 4715025
3-Cyclobutene-1,2-dione, 3-(methylamino)-4-((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)-
CID 3077650
N-[(5-methyl-2-furyl)methyl]ethanamine
CID 4777647
N,N-diethyl-N',N'-bis[(5-methylfuran-2-yl)methyl]propane-1,3-diamine
CID 3955702
2-[1-[2-[[5-[(2-Methylpiperidin-1-yl)methyl]furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
CID 11726534
N-(2-Furanylmethyl)-4-morpholinepropanamine
CID 3312689
2-(5-Methylfuran-2-yl)piperidine
CID 17389585
[1-(Furan-2-yl)ethyl](methyl)amine
CID 3161863
N,N'-bis[6-[(5-methylfuran-2-yl)methylamino]hexyl]octane-1,8-diamine
CID 10369736
N-cycloheptyl-2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}acetamide
CID 16191237

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).