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

C6H10N2O — CID 59116159

IUPACN'-(furan-3-yl)ethane-1,2-diamine
SMILESNCCNc1ccoc1
InChIInChI=1S/C6H10N2O/c7-2-3-8-6-1-4-9-5-6/h1,4-5,8H,2-3,7H2
InChIKeyXITZVFXAPVVGNU-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.65
Rot. Bonds3

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

N'-(furan-3-yl)ethane-1,2-diamine (PubChem CID 59116159) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is N'-(furan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(furan-3-yl)ethane-1,2-diamine
PubChem CID59116159
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC NameN'-(furan-3-yl)ethane-1,2-diamine
SMILESNCCNc1ccoc1
InChIInChI=1S/C6H10N2O/c7-2-3-8-6-1-4-9-5-6/h1,4-5,8H,2-3,7H2
InChIKeyXITZVFXAPVVGNU-UHFFFAOYSA-N
XLogP0.65
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(furan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-(furan-3-yl)ethane-1,2-diamine (CID 59116159) is N'-(furan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(furan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(furan-3-yl)ethane-1,2-diamine is NCCNc1ccoc1.
What is the InChIKey of N'-(furan-3-yl)ethane-1,2-diamine?
The InChIKey is XITZVFXAPVVGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-2-3-8-6-1-4-9-5-6/h1,4-5,8H,2-3,7H2.
What are the key properties of N'-(furan-3-yl)ethane-1,2-diamine?
N'-(furan-3-yl)ethane-1,2-diamine has a molecular weight of 126.16 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 59116159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).