N'-[(E)-furan-2-ylmethylideneamino]methanediamine

C6H9N3O — CID 143034278

IUPACN'-[(E)-furan-2-ylmethylideneamino]methanediamine
SMILESNCN/N=C/c1ccco1
InChIInChI=1S/C6H9N3O/c7-5-9-8-4-6-2-1-3-10-6/h1-4,9H,5,7H2/b8-4+
InChIKeyUMLDFIBLQRKMPH-XBXARRHUSA-N
MW139.16 g/mol
LogP0.12
Rot. Bonds3

About N'-[(E)-furan-2-ylmethylideneamino]methanediamine

N'-[(E)-furan-2-ylmethylideneamino]methanediamine (PubChem CID 143034278) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is N'-[(E)-furan-2-ylmethylideneamino]methanediamine.

Molecular Properties

Compound NameN'-[(E)-furan-2-ylmethylideneamino]methanediamine
PubChem CID143034278
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC NameN'-[(E)-furan-2-ylmethylideneamino]methanediamine
SMILESNCN/N=C/c1ccco1
InChIInChI=1S/C6H9N3O/c7-5-9-8-4-6-2-1-3-10-6/h1-4,9H,5,7H2/b8-4+
InChIKeyUMLDFIBLQRKMPH-XBXARRHUSA-N
XLogP0.12
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
N-(4-bromophenyl)-2-[2-(furan-2-ylmethylidene)hydrazinyl]acetamide
CID 5151377
1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine
CID 10015655
1,2-bis[(Z)-furan-2-ylmethylideneamino]guanidine
CID 6154529
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
1-(furan-2-yl)-N-oxidomethanimine
CID 135527449
(1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea
CID 127261639
1,1,2,2,3,3,3-heptafluoro-N-[(E)-furan-2-ylmethylideneamino]propan-1-amine
CID 126046698
CID 171377962
CID 171377962
1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea
CID 5423286
N-[(Z)-furan-2-ylmethylideneamino]benzenesulfonamide
CID 6269707

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-furan-2-ylmethylideneamino]methanediamine?
The IUPAC name of N'-[(E)-furan-2-ylmethylideneamino]methanediamine (CID 143034278) is N'-[(E)-furan-2-ylmethylideneamino]methanediamine.
What is the SMILES notation for N'-[(E)-furan-2-ylmethylideneamino]methanediamine?
The canonical SMILES for N'-[(E)-furan-2-ylmethylideneamino]methanediamine is NCN/N=C/c1ccco1.
What is the InChIKey of N'-[(E)-furan-2-ylmethylideneamino]methanediamine?
The InChIKey is UMLDFIBLQRKMPH-XBXARRHUSA-N. The full InChI is InChI=1S/C6H9N3O/c7-5-9-8-4-6-2-1-3-10-6/h1-4,9H,5,7H2/b8-4+.
What are the key properties of N'-[(E)-furan-2-ylmethylideneamino]methanediamine?
N'-[(E)-furan-2-ylmethylideneamino]methanediamine has a molecular weight of 139.16 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-furan-2-ylmethylideneamino]methanediamine is sourced from PubChem (CID 143034278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).