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

C12H16N2O2 — CID 67959325

IUPACN',N'-bis(furan-3-ylmethyl)ethane-1,2-diamine
SMILESNCCN(Cc1ccoc1)Cc1ccoc1
InChIInChI=1S/C12H16N2O2/c13-3-4-14(7-11-1-5-15-9-11)8-12-2-6-16-10-12/h1-2,5-6,9-10H,3-4,7-8,13H2
InChIKeyRMPAUZRDZFRZQL-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.83
Rot. Bonds6

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

N',N'-bis(furan-3-ylmethyl)ethane-1,2-diamine (PubChem CID 67959325) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N',N'-bis(furan-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis(furan-3-ylmethyl)ethane-1,2-diamine
PubChem CID67959325
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN',N'-bis(furan-3-ylmethyl)ethane-1,2-diamine
SMILESNCCN(Cc1ccoc1)Cc1ccoc1
InChIInChI=1S/C12H16N2O2/c13-3-4-14(7-11-1-5-15-9-11)8-12-2-6-16-10-12/h1-2,5-6,9-10H,3-4,7-8,13H2
InChIKeyRMPAUZRDZFRZQL-UHFFFAOYSA-N
XLogP1.83
TPSA55.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',N'-bis(furan-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-bis(furan-3-ylmethyl)ethane-1,2-diamine (CID 67959325) is N',N'-bis(furan-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-bis(furan-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-bis(furan-3-ylmethyl)ethane-1,2-diamine is NCCN(Cc1ccoc1)Cc1ccoc1.
What is the InChIKey of N',N'-bis(furan-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is RMPAUZRDZFRZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-3-4-14(7-11-1-5-15-9-11)8-12-2-6-16-10-12/h1-2,5-6,9-10H,3-4,7-8,13H2.
What are the key properties of N',N'-bis(furan-3-ylmethyl)ethane-1,2-diamine?
N',N'-bis(furan-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 220.27 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(furan-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 67959325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).