N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine

C13H24N2O — CID 62417372

IUPACN-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1cc(CNCC)c(C)o1
InChIInChI=1S/C13H24N2O/c1-5-7-15(4)10-13-8-12(9-14-6-2)11(3)16-13/h8,14H,5-7,9-10H2,1-4H3
InChIKeyMPQPGCWKQVXSMO-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.54
Rot. Bonds7

About N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine

N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine (PubChem CID 62417372) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine
PubChem CID62417372
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1cc(CNCC)c(C)o1
InChIInChI=1S/C13H24N2O/c1-5-7-15(4)10-13-8-12(9-14-6-2)11(3)16-13/h8,14H,5-7,9-10H2,1-4H3
InChIKeyMPQPGCWKQVXSMO-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine?
The IUPAC name of N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine (CID 62417372) is N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine is CCCN(C)Cc1cc(CNCC)c(C)o1.
What is the InChIKey of N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine?
The InChIKey is MPQPGCWKQVXSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-7-15(4)10-13-8-12(9-14-6-2)11(3)16-13/h8,14H,5-7,9-10H2,1-4H3.
What are the key properties of N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine?
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 62417372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).