5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide

C13H23N3O2 — CID 63571436

IUPAC5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide
SMILESCCC(CC)N(C)Cc1cc(C(=O)NN)oc1C
InChIInChI=1S/C13H23N3O2/c1-5-11(6-2)16(4)8-10-7-12(13(17)15-14)18-9(10)3/h7,11H,5-6,8,14H2,1-4H3,(H,15,17)
InChIKeyVDPNLMVWRVMOTA-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.81
Rot. Bonds6

About 5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide

5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide (PubChem CID 63571436) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide
PubChem CID63571436
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide
SMILESCCC(CC)N(C)Cc1cc(C(=O)NN)oc1C
InChIInChI=1S/C13H23N3O2/c1-5-11(6-2)16(4)8-10-7-12(13(17)15-14)18-9(10)3/h7,11H,5-6,8,14H2,1-4H3,(H,15,17)
InChIKeyVDPNLMVWRVMOTA-UHFFFAOYSA-N
XLogP1.81
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.81
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

4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 63572329
4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide
CID 63572307
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
CID 63576410
4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
CID 63584013
4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 63570132
4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 113469239
4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
CID 63585085
5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide
CID 63573240
5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide
CID 63582957
5-methyl-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-carbohydrazide
CID 63573613
4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide
CID 63568934
4-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 55213467

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide (CID 63571436) is 5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide is CCC(CC)N(C)Cc1cc(C(=O)NN)oc1C.
What is the InChIKey of 5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide?
The InChIKey is VDPNLMVWRVMOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-11(6-2)16(4)8-10-7-12(13(17)15-14)18-9(10)3/h7,11H,5-6,8,14H2,1-4H3,(H,15,17).
What are the key properties of 5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide?
5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide has a molecular weight of 253.35 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63571436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).