2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine

C12H22N2O — CID 116960840

IUPAC2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine
SMILESCCC(CNC)C(NC)c1ccc(C)o1
InChIInChI=1S/C12H22N2O/c1-5-10(8-13-3)12(14-4)11-7-6-9(2)15-11/h6-7,10,12-14H,5,8H2,1-4H3
InChIKeyIJMYCSAGGPGQNJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.09
Rot. Bonds6

About 2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine

2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine (PubChem CID 116960840) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine
PubChem CID116960840
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine
SMILESCCC(CNC)C(NC)c1ccc(C)o1
InChIInChI=1S/C12H22N2O/c1-5-10(8-13-3)12(14-4)11-7-6-9(2)15-11/h6-7,10,12-14H,5,8H2,1-4H3
InChIKeyIJMYCSAGGPGQNJ-UHFFFAOYSA-N
XLogP2.09
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-dimethyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116960370
2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116960845
2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol
CID 116957574
N,N-dimethyl-1-(5-methylfuran-2-yl)propan-1-amine
CID 145352645
N-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116960297
N'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine
CID 116905952
N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine
CID 116948630
1-(5-methylfuran-2-yl)propan-1-ol
CID 14570731
N,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116949510
N-methyl-N'-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252837
ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
N-methyl-1-(5-methylfuran-2-yl)-1-phenylmethanamine
CID 43481483

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine (CID 116960840) is 2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine is CCC(CNC)C(NC)c1ccc(C)o1.
What is the InChIKey of 2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine?
The InChIKey is IJMYCSAGGPGQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-10(8-13-3)12(14-4)11-7-6-9(2)15-11/h6-7,10,12-14H,5,8H2,1-4H3.
What are the key properties of 2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine?
2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine is sourced from PubChem (CID 116960840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).