5-[[[amino-(propan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide

C10H16N4O2 — CID 119151879

IUPAC5-[[[amino-(propan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide
SMILESCC(C)N/C(N)=N/Cc1ccc(C(N)=O)o1
InChIInChI=1S/C10H16N4O2/c1-6(2)14-10(12)13-5-7-3-4-8(16-7)9(11)15/h3-4,6H,5H2,1-2H3,(H2,11,15)(H3,12,13,14)
InChIKeyGVMGRUMHOIMCPU-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.19
Rot. Bonds4

About 5-[[[amino-(propan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide

5-[[[amino-(propan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide (PubChem CID 119151879) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-[[[amino-(propan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[[amino-(propan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide
PubChem CID119151879
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-[[[amino-(propan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide
SMILESCC(C)N/C(N)=N/Cc1ccc(C(N)=O)o1
InChIInChI=1S/C10H16N4O2/c1-6(2)14-10(12)13-5-7-3-4-8(16-7)9(11)15/h3-4,6H,5H2,1-2H3,(H2,11,15)(H3,12,13,14)
InChIKeyGVMGRUMHOIMCPU-UHFFFAOYSA-N
XLogP0.19
TPSA106.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[[amino-(propan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide?
The IUPAC name of 5-[[[amino-(propan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide (CID 119151879) is 5-[[[amino-(propan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[[amino-(propan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide?
The canonical SMILES for 5-[[[amino-(propan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide is CC(C)N/C(N)=N/Cc1ccc(C(N)=O)o1.
What is the InChIKey of 5-[[[amino-(propan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide?
The InChIKey is GVMGRUMHOIMCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6(2)14-10(12)13-5-7-3-4-8(16-7)9(11)15/h3-4,6H,5H2,1-2H3,(H2,11,15)(H3,12,13,14).
What are the key properties of 5-[[[amino-(propan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide?
5-[[[amino-(propan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[amino-(propan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide is sourced from PubChem (CID 119151879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).