N-ethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine

C13H24N2O — CID 62420328

IUPACN-ethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
SMILESCCC(C)N(CC)Cc1cc(CNC)co1
InChIInChI=1S/C13H24N2O/c1-5-11(3)15(6-2)9-13-7-12(8-14-4)10-16-13/h7,10-11,14H,5-6,8-9H2,1-4H3
InChIKeyFIEWEGMFNMUEHS-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.62
Rot. Bonds7

About N-ethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine

N-ethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine (PubChem CID 62420328) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-ethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
PubChem CID62420328
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-ethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
SMILESCCC(C)N(CC)Cc1cc(CNC)co1
InChIInChI=1S/C13H24N2O/c1-5-11(3)15(6-2)9-13-7-12(8-14-4)10-16-13/h7,10-11,14H,5-6,8-9H2,1-4H3
InChIKeyFIEWEGMFNMUEHS-UHFFFAOYSA-N
XLogP2.62
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-ethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine?
The IUPAC name of N-ethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine (CID 62420328) is N-ethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine.
What is the SMILES notation for N-ethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine?
The canonical SMILES for N-ethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine is CCC(C)N(CC)Cc1cc(CNC)co1.
What is the InChIKey of N-ethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine?
The InChIKey is FIEWEGMFNMUEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-11(3)15(6-2)9-13-7-12(8-14-4)10-16-13/h7,10-11,14H,5-6,8-9H2,1-4H3.
What are the key properties of N-ethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine?
N-ethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine has a molecular weight of 224.35 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 62420328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).