2-ethyl-1-(furan-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine

C13H24N2O — CID 79062006

IUPAC2-ethyl-1-(furan-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
SMILESCCC(CC)(C(NC)c1ccoc1)N(C)C
InChIInChI=1S/C13H24N2O/c1-6-13(7-2,15(4)5)12(14-3)11-8-9-16-10-11/h8-10,12,14H,6-7H2,1-5H3
InChIKeyYBYXJKBKQAGKLW-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.66
Rot. Bonds6

About 2-ethyl-1-(furan-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine

2-ethyl-1-(furan-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine (PubChem CID 79062006) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-ethyl-1-(furan-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-(furan-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
PubChem CID79062006
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-ethyl-1-(furan-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
SMILESCCC(CC)(C(NC)c1ccoc1)N(C)C
InChIInChI=1S/C13H24N2O/c1-6-13(7-2,15(4)5)12(14-3)11-8-9-16-10-11/h8-10,12,14H,6-7H2,1-5H3
InChIKeyYBYXJKBKQAGKLW-UHFFFAOYSA-N
XLogP2.66
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(furan-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-1-(furan-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine (CID 79062006) is 2-ethyl-1-(furan-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-(furan-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-(furan-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine is CCC(CC)(C(NC)c1ccoc1)N(C)C.
What is the InChIKey of 2-ethyl-1-(furan-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The InChIKey is YBYXJKBKQAGKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-6-13(7-2,15(4)5)12(14-3)11-8-9-16-10-11/h8-10,12,14H,6-7H2,1-5H3.
What are the key properties of 2-ethyl-1-(furan-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
2-ethyl-1-(furan-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(furan-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine is sourced from PubChem (CID 79062006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).