5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide

C13H23N3O3 — CID 107206516

IUPAC5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CN(C)CCCCCO)oc1C(=O)NN
InChIInChI=1S/C13H23N3O3/c1-10-8-11(19-12(10)13(18)15-14)9-16(2)6-4-3-5-7-17/h8,17H,3-7,9,14H2,1-2H3,(H,15,18)
InChIKeyBXVNREGKXCSZGJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.79
Rot. Bonds8

About 5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide

5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide (PubChem CID 107206516) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
PubChem CID107206516
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CN(C)CCCCCO)oc1C(=O)NN
InChIInChI=1S/C13H23N3O3/c1-10-8-11(19-12(10)13(18)15-14)9-16(2)6-4-3-5-7-17/h8,17H,3-7,9,14H2,1-2H3,(H,15,18)
InChIKeyBXVNREGKXCSZGJ-UHFFFAOYSA-N
XLogP0.79
TPSA91.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[[5-hydroxypentyl(methyl)amino]methyl]-3-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

Frequently Asked Questions

What is the IUPAC name of 5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide?
The IUPAC name of 5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide (CID 107206516) is 5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide.
What is the SMILES notation for 5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide?
The canonical SMILES for 5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide is Cc1cc(CN(C)CCCCCO)oc1C(=O)NN.
What is the InChIKey of 5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide?
The InChIKey is BXVNREGKXCSZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10-8-11(19-12(10)13(18)15-14)9-16(2)6-4-3-5-7-17/h8,17H,3-7,9,14H2,1-2H3,(H,15,18).
What are the key properties of 5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide?
5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide has a molecular weight of 269.34 g/mol, XLogP of 0.79, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide is sourced from PubChem (CID 107206516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).