4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide

C13H23N3O2 — CID 63572329

IUPAC4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide
SMILESCCC(C)N(CC)Cc1cc(C(=O)NN)oc1C
InChIInChI=1S/C13H23N3O2/c1-5-9(3)16(6-2)8-11-7-12(13(17)15-14)18-10(11)4/h7,9H,5-6,8,14H2,1-4H3,(H,15,17)
InChIKeyYHVPTCKUZABDPF-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.81
Rot. Bonds6

About 4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide

4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide (PubChem CID 63572329) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide
PubChem CID63572329
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide
SMILESCCC(C)N(CC)Cc1cc(C(=O)NN)oc1C
InChIInChI=1S/C13H23N3O2/c1-5-9(3)16(6-2)8-11-7-12(13(17)15-14)18-10(11)4/h7,9H,5-6,8,14H2,1-4H3,(H,15,17)
InChIKeyYHVPTCKUZABDPF-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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Frequently Asked Questions

What is the IUPAC name of 4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide (CID 63572329) is 4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide is CCC(C)N(CC)Cc1cc(C(=O)NN)oc1C.
What is the InChIKey of 4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide?
The InChIKey is YHVPTCKUZABDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-9(3)16(6-2)8-11-7-12(13(17)15-14)18-10(11)4/h7,9H,5-6,8,14H2,1-4H3,(H,15,17).
What are the key properties of 4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide?
4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-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 4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63572329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).