N-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine

C13H24N2O — CID 62419327

IUPACN-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCN(C)Cc1ccoc1CNC(C)(C)C
InChIInChI=1S/C13H24N2O/c1-6-15(5)10-11-7-8-16-12(11)9-14-13(2,3)4/h7-8,14H,6,9-10H2,1-5H3
InChIKeyPXPOQINJAYDVOD-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.62
Rot. Bonds5

About N-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine

N-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62419327) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62419327
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCN(C)Cc1ccoc1CNC(C)(C)C
InChIInChI=1S/C13H24N2O/c1-6-15(5)10-11-7-8-16-12(11)9-14-13(2,3)4/h7-8,14H,6,9-10H2,1-5H3
InChIKeyPXPOQINJAYDVOD-UHFFFAOYSA-N
XLogP2.62
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine (CID 62419327) is N-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine is CCN(C)Cc1ccoc1CNC(C)(C)C.
What is the InChIKey of N-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is PXPOQINJAYDVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-6-15(5)10-11-7-8-16-12(11)9-14-13(2,3)4/h7-8,14H,6,9-10H2,1-5H3.
What are the key properties of N-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 224.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62419327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).