N-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine

C15H25NO2 — CID 129000253

IUPACN-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
SMILESCCc1ccc(CNC[C@H]2CCO[C@@H]2C(C)C)o1
InChIInChI=1S/C15H25NO2/c1-4-13-5-6-14(18-13)10-16-9-12-7-8-17-15(12)11(2)3/h5-6,11-12,15-16H,4,7-10H2,1-3H3/t12-,15-/m1/s1
InChIKeyYBNGRBUDTVMZJT-IUODEOHRSA-N
MW251.37 g/mol
LogP2.99
Rot. Bonds6

About N-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine

N-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine (PubChem CID 129000253) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
PubChem CID129000253
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
SMILESCCc1ccc(CNC[C@H]2CCO[C@@H]2C(C)C)o1
InChIInChI=1S/C15H25NO2/c1-4-13-5-6-14(18-13)10-16-9-12-7-8-17-15(12)11(2)3/h5-6,11-12,15-16H,4,7-10H2,1-3H3/t12-,15-/m1/s1
InChIKeyYBNGRBUDTVMZJT-IUODEOHRSA-N
XLogP2.99
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]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 N-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine (CID 129000253) is N-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine is CCc1ccc(CNC[C@H]2CCO[C@@H]2C(C)C)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine?
The InChIKey is YBNGRBUDTVMZJT-IUODEOHRSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-13-5-6-14(18-13)10-16-9-12-7-8-17-15(12)11(2)3/h5-6,11-12,15-16H,4,7-10H2,1-3H3/t12-,15-/m1/s1.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine?
N-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine has a molecular weight of 251.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine is sourced from PubChem (CID 129000253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).