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

C7H12N2O — CID 62560945

IUPACN'-(furan-3-ylmethyl)ethane-1,2-diamine
SMILESNCCNCc1ccoc1
InChIInChI=1S/C7H12N2O/c8-2-3-9-5-7-1-4-10-6-7/h1,4,6,9H,2-3,5,8H2
InChIKeyMVZOCQCWSANBLU-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.33
Rot. Bonds4

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

N'-(furan-3-ylmethyl)ethane-1,2-diamine (PubChem CID 62560945) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N'-(furan-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(furan-3-ylmethyl)ethane-1,2-diamine
PubChem CID62560945
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN'-(furan-3-ylmethyl)ethane-1,2-diamine
SMILESNCCNCc1ccoc1
InChIInChI=1S/C7H12N2O/c8-2-3-9-5-7-1-4-10-6-7/h1,4,6,9H,2-3,5,8H2
InChIKeyMVZOCQCWSANBLU-UHFFFAOYSA-N
XLogP0.33
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(furan-3-ylmethyl)ethane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(furan-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(furan-3-ylmethyl)ethane-1,2-diamine (CID 62560945) is N'-(furan-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(furan-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(furan-3-ylmethyl)ethane-1,2-diamine is NCCNCc1ccoc1.
What is the InChIKey of N'-(furan-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is MVZOCQCWSANBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c8-2-3-9-5-7-1-4-10-6-7/h1,4,6,9H,2-3,5,8H2.
What are the key properties of N'-(furan-3-ylmethyl)ethane-1,2-diamine?
N'-(furan-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 140.19 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62560945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).