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

C13H17N3O3 — CID 63579482

IUPAC2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]furan-3-carbohydrazide
SMILESCc1occc1CN(C)Cc1occc1C(=O)NN
InChIInChI=1S/C13H17N3O3/c1-9-10(3-5-18-9)7-16(2)8-12-11(4-6-19-12)13(17)15-14/h3-6H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyJGHRNLRYENNECQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.42
Rot. Bonds5

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

2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]furan-3-carbohydrazide (PubChem CID 63579482) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]furan-3-carbohydrazide
PubChem CID63579482
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]furan-3-carbohydrazide
SMILESCc1occc1CN(C)Cc1occc1C(=O)NN
InChIInChI=1S/C13H17N3O3/c1-9-10(3-5-18-9)7-16(2)8-12-11(4-6-19-12)13(17)15-14/h3-6H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyJGHRNLRYENNECQ-UHFFFAOYSA-N
XLogP1.42
TPSA84.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.42
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-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide
CID 63568687
2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
CID 63577745
3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide
CID 63578941
2-[[methyl(pentyl)amino]methyl]furan-3-carbohydrazide
CID 63573089
2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
CID 63584190
2-(diethylaminomethyl)furan-3-carbohydrazide
CID 63570482
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide
CID 63573677
2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide
CID 63569034
4-fluoro-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzoic acid
CID 107907810
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
2-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-3-carbohydrazide
CID 63578917

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]furan-3-carbohydrazide (CID 63579482) is 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]furan-3-carbohydrazide is Cc1occc1CN(C)Cc1occc1C(=O)NN.
What is the InChIKey of 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]furan-3-carbohydrazide?
The InChIKey is JGHRNLRYENNECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-10(3-5-18-9)7-16(2)8-12-11(4-6-19-12)13(17)15-14/h3-6H,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]furan-3-carbohydrazide?
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]furan-3-carbohydrazide has a molecular weight of 263.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63579482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).