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

C12H21N3O2 — CID 63573677

IUPAC2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide
SMILESCCC(CC)N(C)Cc1occc1C(=O)NN
InChIInChI=1S/C12H21N3O2/c1-4-9(5-2)15(3)8-11-10(6-7-17-11)12(16)14-13/h6-7,9H,4-5,8,13H2,1-3H3,(H,14,16)
InChIKeyUEJRNLVPODYCOJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.50
Rot. Bonds6

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

2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide (PubChem CID 63573677) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide
PubChem CID63573677
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide
SMILESCCC(CC)N(C)Cc1occc1C(=O)NN
InChIInChI=1S/C12H21N3O2/c1-4-9(5-2)15(3)8-11-10(6-7-17-11)12(16)14-13/h6-7,9H,4-5,8,13H2,1-3H3,(H,14,16)
InChIKeyUEJRNLVPODYCOJ-UHFFFAOYSA-N
XLogP1.50
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(diethylaminomethyl)furan-3-carbohydrazide
CID 63570482
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
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-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-carbohydrazide
CID 63583704
2-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide
CID 66228175
3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 112666648
2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
CID 63584190
2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 63569726
2-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-3-carbohydrazide
CID 63578917

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide (CID 63573677) is 2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide is CCC(CC)N(C)Cc1occc1C(=O)NN.
What is the InChIKey of 2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide?
The InChIKey is UEJRNLVPODYCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-9(5-2)15(3)8-11-10(6-7-17-11)12(16)14-13/h6-7,9H,4-5,8,13H2,1-3H3,(H,14,16).
What are the key properties of 2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide?
2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide has a molecular weight of 239.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63573677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).