5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]furan-3-carbohydrazide

C13H24N4O2 — CID 103192024

IUPAC5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]furan-3-carbohydrazide
SMILESCCN(Cc1cc(C(=O)NN)co1)C(C)CN(C)C
InChIInChI=1S/C13H24N4O2/c1-5-17(10(2)7-16(3)4)8-12-6-11(9-19-12)13(18)15-14/h6,9-10H,5,7-8,14H2,1-4H3,(H,15,18)
InChIKeyWHGGIZUHPMRCKZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.66
Rot. Bonds7

About 5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]furan-3-carbohydrazide

5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]furan-3-carbohydrazide (PubChem CID 103192024) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]furan-3-carbohydrazide
PubChem CID103192024
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]furan-3-carbohydrazide
SMILESCCN(Cc1cc(C(=O)NN)co1)C(C)CN(C)C
InChIInChI=1S/C13H24N4O2/c1-5-17(10(2)7-16(3)4)8-12-6-11(9-19-12)13(18)15-14/h6,9-10H,5,7-8,14H2,1-4H3,(H,15,18)
InChIKeyWHGGIZUHPMRCKZ-UHFFFAOYSA-N
XLogP0.66
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.66
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-[[ethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 62267286
5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-3-carbohydrazide
CID 79858792
5-(propan-2-yloxymethyl)furan-3-carbohydrazide
CID 63574391
5-[(4-methoxy-N-methylanilino)methyl]furan-3-carbohydrazide
CID 63584554
N-cyclopropyl-2-[[4-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]acetamide
CID 63585140
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63574178
5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63572716
5-(2-ethoxyethoxymethyl)furan-3-carbohydrazide
CID 63588537
5-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide
CID 66231207
2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]propane-1,2-diamine
CID 103191687
4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide
CID 63573634
5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]thiophene-2-carboxylic acid
CID 103189702

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]furan-3-carbohydrazide (CID 103192024) is 5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]furan-3-carbohydrazide is CCN(Cc1cc(C(=O)NN)co1)C(C)CN(C)C.
What is the InChIKey of 5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]furan-3-carbohydrazide?
The InChIKey is WHGGIZUHPMRCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-17(10(2)7-16(3)4)8-12-6-11(9-19-12)13(18)15-14/h6,9-10H,5,7-8,14H2,1-4H3,(H,15,18).
What are the key properties of 5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]furan-3-carbohydrazide?
5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]furan-3-carbohydrazide has a molecular weight of 268.36 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]furan-3-carbohydrazide is sourced from PubChem (CID 103192024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).