3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide

C13H22N4O2 — CID 63572264

IUPAC3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide
SMILESCN1CCC(CN(C)Cc2ccoc2C(=O)NN)C1
InChIInChI=1S/C13H22N4O2/c1-16-5-3-10(7-16)8-17(2)9-11-4-6-19-12(11)13(18)15-14/h4,6,10H,3,5,7-9,14H2,1-2H3,(H,15,18)
InChIKeyVFRRXOHBZVUSAK-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.27
Rot. Bonds5

About 3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide

3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide (PubChem CID 63572264) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide
PubChem CID63572264
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide
SMILESCN1CCC(CN(C)Cc2ccoc2C(=O)NN)C1
InChIInChI=1S/C13H22N4O2/c1-16-5-3-10(7-16)8-17(2)9-11-4-6-19-12(11)13(18)15-14/h4,6,10H,3,5,7-9,14H2,1-2H3,(H,15,18)
InChIKeyVFRRXOHBZVUSAK-UHFFFAOYSA-N
XLogP0.27
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.27
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 3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide with MolForge

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Related Compounds

2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide
CID 63574180
N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63274626
2-methyl-N-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 63274846
3-[(4-propylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572820
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63574178
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thiophene-2-carbohydrazide
CID 63572100
3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide
CID 63577197
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol
CID 82980533
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]furan-2-carbohydrazide
CID 63573141
1-[4-hydroxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanone
CID 63274058
4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzoic acid
CID 63274047
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide
CID 81067916

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide (CID 63572264) is 3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide is CN1CCC(CN(C)Cc2ccoc2C(=O)NN)C1.
What is the InChIKey of 3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide?
The InChIKey is VFRRXOHBZVUSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-16-5-3-10(7-16)8-17(2)9-11-4-6-19-12(11)13(18)15-14/h4,6,10H,3,5,7-9,14H2,1-2H3,(H,15,18).
What are the key properties of 3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide?
3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide has a molecular weight of 266.34 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63572264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).