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

C12H18N4O2 — CID 63578917

IUPAC2-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-3-carbohydrazide
SMILESCC(C)N(CCC#N)Cc1occc1C(=O)NN
InChIInChI=1S/C12H18N4O2/c1-9(2)16(6-3-5-13)8-11-10(4-7-18-11)12(17)15-14/h4,7,9H,3,6,8,14H2,1-2H3,(H,15,17)
InChIKeyJLUBQUQASRZFBO-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.01
Rot. Bonds6

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

2-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-3-carbohydrazide (PubChem CID 63578917) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-3-carbohydrazide
PubChem CID63578917
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-3-carbohydrazide
SMILESCC(C)N(CCC#N)Cc1occc1C(=O)NN
InChIInChI=1S/C12H18N4O2/c1-9(2)16(6-3-5-13)8-11-10(4-7-18-11)12(17)15-14/h4,7,9H,3,6,8,14H2,1-2H3,(H,15,17)
InChIKeyJLUBQUQASRZFBO-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
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(2-methylpropyl)amino]methyl]furan-3-carbohydrazide
CID 63583939
2-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-carbohydrazide
CID 63583704
2-[[2-methoxyethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 82951427
2-(diethylaminomethyl)furan-3-carbohydrazide
CID 63570482
2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide
CID 63579637
2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide
CID 63573677
2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide
CID 63568687
2-[[methyl(pentyl)amino]methyl]furan-3-carbohydrazide
CID 63573089
2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide
CID 106684802
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63579482
2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
CID 63577745
2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide
CID 63569034

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-3-carbohydrazide (CID 63578917) is 2-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-3-carbohydrazide is CC(C)N(CCC#N)Cc1occc1C(=O)NN.
What is the InChIKey of 2-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-3-carbohydrazide?
The InChIKey is JLUBQUQASRZFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9(2)16(6-3-5-13)8-11-10(4-7-18-11)12(17)15-14/h4,7,9H,3,6,8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-3-carbohydrazide?
2-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-3-carbohydrazide has a molecular weight of 250.30 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63578917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).