2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]furan-3-carbohydrazide

C13H20N4O2 — CID 63583939

IUPAC2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]furan-3-carbohydrazide
SMILESCC(C)CN(CCC#N)Cc1occc1C(=O)NN
InChIInChI=1S/C13H20N4O2/c1-10(2)8-17(6-3-5-14)9-12-11(4-7-19-12)13(18)16-15/h4,7,10H,3,6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyOIRNOSACTGSLGW-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.25
Rot. Bonds7

About 2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]furan-3-carbohydrazide

2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]furan-3-carbohydrazide (PubChem CID 63583939) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]furan-3-carbohydrazide
PubChem CID63583939
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]furan-3-carbohydrazide
SMILESCC(C)CN(CCC#N)Cc1occc1C(=O)NN
InChIInChI=1S/C13H20N4O2/c1-10(2)8-17(6-3-5-14)9-12-11(4-7-19-12)13(18)16-15/h4,7,10H,3,6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyOIRNOSACTGSLGW-UHFFFAOYSA-N
XLogP1.25
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.25
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'}

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Related Compounds

2-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-3-carbohydrazide
CID 63578917
2-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-carbohydrazide
CID 63583704
2-(diethylaminomethyl)furan-3-carbohydrazide
CID 63570482
3-[[2-(furan-2-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile
CID 62052823
2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide
CID 63573677
2-[[methyl(pentyl)amino]methyl]furan-3-carbohydrazide
CID 63573089
2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide
CID 63568687
2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide
CID 63569034
3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propanenitrile
CID 54940299
3-[2-methylpropyl-(2-oxo-3-phenylpropyl)amino]propanenitrile
CID 62051467
3-[[2-(4-chlorophenyl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile
CID 60649770
5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide
CID 63583743

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]furan-3-carbohydrazide (CID 63583939) is 2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]furan-3-carbohydrazide is CC(C)CN(CCC#N)Cc1occc1C(=O)NN.
What is the InChIKey of 2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]furan-3-carbohydrazide?
The InChIKey is OIRNOSACTGSLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(2)8-17(6-3-5-14)9-12-11(4-7-19-12)13(18)16-15/h4,7,10H,3,6,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]furan-3-carbohydrazide?
2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]furan-3-carbohydrazide has a molecular weight of 264.33 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63583939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).