furan-3-ylmethanediamine

C5H8N2O — CID 54545098

IUPACfuran-3-ylmethanediamine
SMILESNC(N)c1ccoc1
InChIInChI=1S/C5H8N2O/c6-5(7)4-1-2-8-3-4/h1-3,5H,6-7H2
InChIKeyZFYYKXGADSDUDY-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.20
Rot. Bonds1

About furan-3-ylmethanediamine

furan-3-ylmethanediamine (PubChem CID 54545098) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is furan-3-ylmethanediamine.

Molecular Properties

Compound Namefuran-3-ylmethanediamine
PubChem CID54545098
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Namefuran-3-ylmethanediamine
SMILESNC(N)c1ccoc1
InChIInChI=1S/C5H8N2O/c6-5(7)4-1-2-8-3-4/h1-3,5H,6-7H2
InChIKeyZFYYKXGADSDUDY-UHFFFAOYSA-N
XLogP0.20
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(furan-3-yl)-2-methylpropan-1-amine
CID 63948567
1-(furan-3-yl)prop-2-en-1-amine
CID 55294401
(2S)-2-amino-2-(furan-3-yl)ethanol;hydrochloride
CID 171212353
2-amino-2-(furan-3-yl)acetic acid
CID 4564162
(1S)-1-(furan-3-yl)butan-1-amine
CID 78960978
(1R)-3-fluoro-1-(furan-3-yl)propan-1-amine
CID 171212338
(3,5-dichlorophenyl)-(furan-3-yl)methanamine
CID 115855603
(1S)-1-(furan-3-yl)-2-methylbutan-1-amine
CID 130804211
methyl (2R)-2-amino-2-(furan-3-yl)acetate
CID 130841442
2-amino-1-(furan-3-yl)propane-1,3-diol
CID 66204732
1-(furan-3-yl)-2-methoxyethanamine
CID 63948777
(1R)-1-(furan-3-yl)-2-methylbutan-1-amine
CID 130986923

Frequently Asked Questions

What is the IUPAC name of furan-3-ylmethanediamine?
The IUPAC name of furan-3-ylmethanediamine (CID 54545098) is furan-3-ylmethanediamine.
What is the SMILES notation for furan-3-ylmethanediamine?
The canonical SMILES for furan-3-ylmethanediamine is NC(N)c1ccoc1.
What is the InChIKey of furan-3-ylmethanediamine?
The InChIKey is ZFYYKXGADSDUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c6-5(7)4-1-2-8-3-4/h1-3,5H,6-7H2.
What are the key properties of furan-3-ylmethanediamine?
furan-3-ylmethanediamine has a molecular weight of 112.13 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-ylmethanediamine is sourced from PubChem (CID 54545098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).