5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carbohydrazide

C14H23N3O2 — CID 107402375

IUPAC5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carbohydrazide
SMILESCCN(Cc1cc(C(=O)NN)c(C)o1)CC1CCC1
InChIInChI=1S/C14H23N3O2/c1-3-17(8-11-5-4-6-11)9-12-7-13(10(2)19-12)14(18)16-15/h7,11H,3-6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyQXJXYDTYXFNJIA-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.81
Rot. Bonds6

About 5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carbohydrazide

5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carbohydrazide (PubChem CID 107402375) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carbohydrazide
PubChem CID107402375
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carbohydrazide
SMILESCCN(Cc1cc(C(=O)NN)c(C)o1)CC1CCC1
InChIInChI=1S/C14H23N3O2/c1-3-17(8-11-5-4-6-11)9-12-7-13(10(2)19-12)14(18)16-15/h7,11H,3-6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyQXJXYDTYXFNJIA-UHFFFAOYSA-N
XLogP1.81
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
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

5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 63954992
N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 107402081
5-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylfuran-3-carbohydrazide
CID 63579462
5-(cyclopentylmethoxymethyl)-2-methylfuran-3-carbohydrazide
CID 66322936
5-[[cyclopropylmethyl(propyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61441661
2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide
CID 63572711
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 107402017
3-[cyclobutylmethyl(ethyl)amino]propanehydrazide
CID 107402379
2-methyl-5-[(4-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide
CID 63575241
5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide
CID 63580274
2-[1-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl]piperidin-4-yl]acetamide
CID 63579170
2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63625273

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carbohydrazide (CID 107402375) is 5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carbohydrazide is CCN(Cc1cc(C(=O)NN)c(C)o1)CC1CCC1.
What is the InChIKey of 5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is QXJXYDTYXFNJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-17(8-11-5-4-6-11)9-12-7-13(10(2)19-12)14(18)16-15/h7,11H,3-6,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of 5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carbohydrazide?
5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 265.36 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-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 107402375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).