N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine

C13H22N2O2 — CID 62435887

IUPACN-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCc1oc(CN(C)CC2CCCO2)cc1CN
InChIInChI=1S/C13H22N2O2/c1-10-11(7-14)6-13(17-10)9-15(2)8-12-4-3-5-16-12/h6,12H,3-5,7-9,14H2,1-2H3
InChIKeyYIVSHAMEQWWZHA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.66
Rot. Bonds5

About N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine

N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine (PubChem CID 62435887) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
PubChem CID62435887
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCc1oc(CN(C)CC2CCCO2)cc1CN
InChIInChI=1S/C13H22N2O2/c1-10-11(7-14)6-13(17-10)9-15(2)8-12-4-3-5-16-12/h6,12H,3-5,7-9,14H2,1-2H3
InChIKeyYIVSHAMEQWWZHA-UHFFFAOYSA-N
XLogP1.66
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-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-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine (CID 62435887) is N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine is Cc1oc(CN(C)CC2CCCO2)cc1CN.
What is the InChIKey of N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
The InChIKey is YIVSHAMEQWWZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10-11(7-14)6-13(17-10)9-15(2)8-12-4-3-5-16-12/h6,12H,3-5,7-9,14H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine has a molecular weight of 238.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 62435887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).