5-[(dibutylamino)methyl]furan-2-carbohydrazide

C14H25N3O2 — CID 4126340

IUPAC5-[(dibutylamino)methyl]furan-2-carbohydrazide
SMILESCCCCN(CCCC)Cc1ccc(C(=O)NN)o1
InChIInChI=1S/C14H25N3O2/c1-3-5-9-17(10-6-4-2)11-12-7-8-13(19-12)14(18)16-15/h7-8H,3-6,9-11,15H2,1-2H3,(H,16,18)
InChIKeyYNEBEZZMSJZKPG-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.29
Rot. Bonds9

About 5-[(dibutylamino)methyl]furan-2-carbohydrazide

5-[(dibutylamino)methyl]furan-2-carbohydrazide (PubChem CID 4126340) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-[(dibutylamino)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(dibutylamino)methyl]furan-2-carbohydrazide
PubChem CID4126340
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name5-[(dibutylamino)methyl]furan-2-carbohydrazide
SMILESCCCCN(CCCC)Cc1ccc(C(=O)NN)o1
InChIInChI=1S/C14H25N3O2/c1-3-5-9-17(10-6-4-2)11-12-7-8-13(19-12)14(18)16-15/h7-8H,3-6,9-11,15H2,1-2H3,(H,16,18)
InChIKeyYNEBEZZMSJZKPG-UHFFFAOYSA-N
XLogP2.29
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(dibutylamino)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(dibutylamino)methyl]furan-2-carbohydrazide (CID 4126340) is 5-[(dibutylamino)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(dibutylamino)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(dibutylamino)methyl]furan-2-carbohydrazide is CCCCN(CCCC)Cc1ccc(C(=O)NN)o1.
What is the InChIKey of 5-[(dibutylamino)methyl]furan-2-carbohydrazide?
The InChIKey is YNEBEZZMSJZKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-5-9-17(10-6-4-2)11-12-7-8-13(19-12)14(18)16-15/h7-8H,3-6,9-11,15H2,1-2H3,(H,16,18).
What are the key properties of 5-[(dibutylamino)methyl]furan-2-carbohydrazide?
5-[(dibutylamino)methyl]furan-2-carbohydrazide has a molecular weight of 267.37 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dibutylamino)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 4126340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).