5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide

C12H22N4O2 — CID 63726556

IUPAC5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide
SMILESCN(C)CCCN(C)Cc1ccc(C(=O)NN)o1
InChIInChI=1S/C12H22N4O2/c1-15(2)7-4-8-16(3)9-10-5-6-11(18-10)12(17)14-13/h5-6H,4,7-9,13H2,1-3H3,(H,14,17)
InChIKeyAHEOHMLFGBSICX-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.27
Rot. Bonds7

About 5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide

5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide (PubChem CID 63726556) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide
PubChem CID63726556
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide
SMILESCN(C)CCCN(C)Cc1ccc(C(=O)NN)o1
InChIInChI=1S/C12H22N4O2/c1-15(2)7-4-8-16(3)9-10-5-6-11(18-10)12(17)14-13/h5-6H,4,7-9,13H2,1-3H3,(H,14,17)
InChIKeyAHEOHMLFGBSICX-UHFFFAOYSA-N
XLogP0.27
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
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'}

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Related Compounds

5-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63577746
5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide
CID 63578022
5-[[3-(dimethylamino)propyl-ethylamino]methyl]furan-2-carboxylic acid
CID 102994678
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63578444
2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 63583278
N-(2-aminoethyl)-5-[(dimethylamino)methyl]furan-2-carboxamide
CID 10104585
5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
CID 63584169
5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63585765
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide
CID 55214616
5-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide
CID 55214063
5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
CID 63583297
methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62012233

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide (CID 63726556) is 5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide is CN(C)CCCN(C)Cc1ccc(C(=O)NN)o1.
What is the InChIKey of 5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide?
The InChIKey is AHEOHMLFGBSICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-15(2)7-4-8-16(3)9-10-5-6-11(18-10)12(17)14-13/h5-6H,4,7-9,13H2,1-3H3,(H,14,17).
What are the key properties of 5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide?
5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide has a molecular weight of 254.33 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63726556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).