2-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-carbohydrazide

C12H18N4O2 — CID 63583704

IUPAC2-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-carbohydrazide
SMILESCCN(Cc1occc1C(=O)NN)CC(C)C#N
InChIInChI=1S/C12H18N4O2/c1-3-16(7-9(2)6-13)8-11-10(4-5-18-11)12(17)15-14/h4-5,9H,3,7-8,14H2,1-2H3,(H,15,17)
InChIKeyUFVHRKZOZFPUSS-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.86
Rot. Bonds6

About 2-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-carbohydrazide

2-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-carbohydrazide (PubChem CID 63583704) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-carbohydrazide
PubChem CID63583704
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-carbohydrazide
SMILESCCN(Cc1occc1C(=O)NN)CC(C)C#N
InChIInChI=1S/C12H18N4O2/c1-3-16(7-9(2)6-13)8-11-10(4-5-18-11)12(17)15-14/h4-5,9H,3,7-8,14H2,1-2H3,(H,15,17)
InChIKeyUFVHRKZOZFPUSS-UHFFFAOYSA-N
XLogP0.86
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-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

2-(diethylaminomethyl)furan-3-carbohydrazide
CID 63570482
2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]furan-3-carbohydrazide
CID 63583939
5-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63585748
2-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-3-carbohydrazide
CID 63578917
2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide
CID 63573677
2-[[ethyl(2-methylbutyl)amino]methyl]furan-3-carboxylic acid
CID 79476778
3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile
CID 61423405
2-[[methyl(pentyl)amino]methyl]furan-3-carbohydrazide
CID 63573089
2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide
CID 63583398
2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide
CID 63569034
2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide
CID 63568687
4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide
CID 51967572

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-carbohydrazide (CID 63583704) is 2-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-carbohydrazide is CCN(Cc1occc1C(=O)NN)CC(C)C#N.
What is the InChIKey of 2-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-carbohydrazide?
The InChIKey is UFVHRKZOZFPUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-16(7-9(2)6-13)8-11-10(4-5-18-11)12(17)15-14/h4-5,9H,3,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-carbohydrazide?
2-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-carbohydrazide has a molecular weight of 250.30 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63583704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).