N-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine

C13H22N2O2 — CID 62447659

IUPACN-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCOCCN(C)Cc1ccoc1CNC1CC1
InChIInChI=1S/C13H22N2O2/c1-15(6-8-16-2)10-11-5-7-17-13(11)9-14-12-3-4-12/h5,7,12,14H,3-4,6,8-10H2,1-2H3
InChIKeyWQPYEWZITPTHNL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.61
Rot. Bonds8

About N-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine

N-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62447659) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62447659
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCOCCN(C)Cc1ccoc1CNC1CC1
InChIInChI=1S/C13H22N2O2/c1-15(6-8-16-2)10-11-5-7-17-13(11)9-14-12-3-4-12/h5,7,12,14H,3-4,6,8-10H2,1-2H3
InChIKeyWQPYEWZITPTHNL-UHFFFAOYSA-N
XLogP1.61
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine (CID 62447659) is N-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine is COCCN(C)Cc1ccoc1CNC1CC1.
What is the InChIKey of N-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is WQPYEWZITPTHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15(6-8-16-2)10-11-5-7-17-13(11)9-14-12-3-4-12/h5,7,12,14H,3-4,6,8-10H2,1-2H3.
What are the key properties of N-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 238.33 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62447659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).