bis(furan-2-yl)methanediamine

C9H10N2O2 — CID 175922439

IUPACbis(furan-2-yl)methanediamine
SMILESNC(N)(c1ccco1)c1ccco1
InChIInChI=1S/C9H10N2O2/c10-9(11,7-3-1-5-12-7)8-4-2-6-13-8/h1-6H,10-11H2
InChIKeyKYHYKJRDAFZWNG-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.99
Rot. Bonds2

About bis(furan-2-yl)methanediamine

bis(furan-2-yl)methanediamine (PubChem CID 175922439) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is bis(furan-2-yl)methanediamine.

Molecular Properties

Compound Namebis(furan-2-yl)methanediamine
PubChem CID175922439
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Namebis(furan-2-yl)methanediamine
SMILESNC(N)(c1ccco1)c1ccco1
InChIInChI=1S/C9H10N2O2/c10-9(11,7-3-1-5-12-7)8-4-2-6-13-8/h1-6H,10-11H2
InChIKeyKYHYKJRDAFZWNG-UHFFFAOYSA-N
XLogP0.99
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-yl)propan-2-amine;hydron;chloride
CID 146472064
tris(furan-2-yl)methylsilane
CID 71354015
(2S)-2-amino-2-(furan-2-yl)propan-1-ol
CID 130605290
CID 158971917
CID 158971917
2-amino-1,1-bis(furan-2-yl)propan-1-ol
CID 139948043
2-ethyl-2-(furan-2-yl)butan-1-amine
CID 83816012
3-amino-2,2-difluoro-3-(furan-2-yl)butan-1-ol
CID 130061026
2-[1-(disulfanyl)-1-(furan-2-yl)ethyl]furan
CID 87172751
2-(furan-2-yl)propan-2-ol;methoxymethane
CID 174924617
4-amino-3-(furan-2-yl)-3-methylpentan-1-ol
CID 66089828
2-fluoro-2-(furan-2-yl)propanedioic acid
CID 139618699
3,3,3-trifluoro-2-(furan-2-yl)propane-1,2-diol
CID 73069117

Frequently Asked Questions

What is the IUPAC name of bis(furan-2-yl)methanediamine?
The IUPAC name of bis(furan-2-yl)methanediamine (CID 175922439) is bis(furan-2-yl)methanediamine.
What is the SMILES notation for bis(furan-2-yl)methanediamine?
The canonical SMILES for bis(furan-2-yl)methanediamine is NC(N)(c1ccco1)c1ccco1.
What is the InChIKey of bis(furan-2-yl)methanediamine?
The InChIKey is KYHYKJRDAFZWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-9(11,7-3-1-5-12-7)8-4-2-6-13-8/h1-6H,10-11H2.
What are the key properties of bis(furan-2-yl)methanediamine?
bis(furan-2-yl)methanediamine has a molecular weight of 178.19 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(furan-2-yl)methanediamine is sourced from PubChem (CID 175922439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).