4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide

C15H27N3O2 — CID 63572307

IUPAC4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide
SMILESCCCCN(CCCC)Cc1cc(C(=O)NN)oc1C
InChIInChI=1S/C15H27N3O2/c1-4-6-8-18(9-7-5-2)11-13-10-14(15(19)17-16)20-12(13)3/h10H,4-9,11,16H2,1-3H3,(H,17,19)
InChIKeyWXKHUDTUGOGGPC-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.59
Rot. Bonds9

About 4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide

4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide (PubChem CID 63572307) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide
PubChem CID63572307
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide
SMILESCCCCN(CCCC)Cc1cc(C(=O)NN)oc1C
InChIInChI=1S/C15H27N3O2/c1-4-6-8-18(9-7-5-2)11-13-10-14(15(19)17-16)20-12(13)3/h10H,4-9,11,16H2,1-3H3,(H,17,19)
InChIKeyWXKHUDTUGOGGPC-UHFFFAOYSA-N
XLogP2.59
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.59
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'}

Analyze 4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 113469239
5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide
CID 63571436
4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 63572329
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
CID 63576410
4-[(dipropylamino)methyl]-5-methylfuran-2-carbonyl chloride
CID 39260612
4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 63570132
4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
CID 63584013
5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide
CID 63573240
4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 62274669
4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
CID 63585085
4-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 55213467
5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63572496

Frequently Asked Questions

What is the IUPAC name of 4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide (CID 63572307) is 4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide is CCCCN(CCCC)Cc1cc(C(=O)NN)oc1C.
What is the InChIKey of 4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide?
The InChIKey is WXKHUDTUGOGGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-6-8-18(9-7-5-2)11-13-10-14(15(19)17-16)20-12(13)3/h10H,4-9,11,16H2,1-3H3,(H,17,19).
What are the key properties of 4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide?
4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide has a molecular weight of 281.40 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63572307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).