N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine

C11H17NO2 — CID 3152150

IUPACN-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1ccc(CNCC2CCCO2)o1
InChIInChI=1S/C11H17NO2/c1-9-4-5-11(14-9)8-12-7-10-3-2-6-13-10/h4-5,10,12H,2-3,6-8H2,1H3
InChIKeyGFRLOYQDBHXKHZ-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.86
Rot. Bonds4

About N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 3152150) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID3152150
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1ccc(CNCC2CCCO2)o1
InChIInChI=1S/C11H17NO2/c1-9-4-5-11(14-9)8-12-7-10-3-2-6-13-10/h4-5,10,12H,2-3,6-8H2,1H3
InChIKeyGFRLOYQDBHXKHZ-UHFFFAOYSA-N
XLogP1.86
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-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-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 3152150) is N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine is Cc1ccc(CNCC2CCCO2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is GFRLOYQDBHXKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9-4-5-11(14-9)8-12-7-10-3-2-6-13-10/h4-5,10,12H,2-3,6-8H2,1H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 195.26 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 3152150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).