N-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine

C11H20N2O2 — CID 102700858

IUPACN-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine
SMILESCOC(C)CNCCNCc1ccoc1
InChIInChI=1S/C11H20N2O2/c1-10(14-2)7-12-4-5-13-8-11-3-6-15-9-11/h3,6,9-10,12-13H,4-5,7-8H2,1-2H3
InChIKeyGUOOTLLXJAJKDY-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.99
Rot. Bonds8

About N-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine

N-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine (PubChem CID 102700858) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine
PubChem CID102700858
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine
SMILESCOC(C)CNCCNCc1ccoc1
InChIInChI=1S/C11H20N2O2/c1-10(14-2)7-12-4-5-13-8-11-3-6-15-9-11/h3,6,9-10,12-13H,4-5,7-8H2,1-2H3
InChIKeyGUOOTLLXJAJKDY-UHFFFAOYSA-N
XLogP0.99
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
N-(furan-3-ylmethyl)-3-methoxypropan-1-amine
CID 62997873
N-(furan-3-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 115667010
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
N-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450221
N-(furan-3-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 63982151
N-benzyl-2-methoxypropan-1-amine
CID 58887986
N-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62554647
3-ethoxy-N-(furan-3-ylmethyl)propan-1-amine
CID 62997867
1-(furan-3-yl)-N-propan-2-yloxymethanamine
CID 131223098
N-(furan-3-ylmethyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55089294
N'-[2-(dimethylamino)ethyl]-N-(furan-3-ylmethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55089726

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine?
The IUPAC name of N-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine (CID 102700858) is N-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine?
The canonical SMILES for N-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine is COC(C)CNCCNCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine?
The InChIKey is GUOOTLLXJAJKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-10(14-2)7-12-4-5-13-8-11-3-6-15-9-11/h3,6,9-10,12-13H,4-5,7-8H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine?
N-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine has a molecular weight of 212.29 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 102700858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).