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

C15H25N3O2 — CID 63572192

IUPAC5-[[cycloheptyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CN(C)C2CCCCCC2)oc1C(=O)NN
InChIInChI=1S/C15H25N3O2/c1-11-9-13(20-14(11)15(19)17-16)10-18(2)12-7-5-3-4-6-8-12/h9,12H,3-8,10,16H2,1-2H3,(H,17,19)
InChIKeyNEFOWSLMSGUZOX-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.35
Rot. Bonds4

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

5-[[cycloheptyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide (PubChem CID 63572192) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-[[cycloheptyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-[[cycloheptyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
PubChem CID63572192
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5-[[cycloheptyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CN(C)C2CCCCCC2)oc1C(=O)NN
InChIInChI=1S/C15H25N3O2/c1-11-9-13(20-14(11)15(19)17-16)10-18(2)12-7-5-3-4-6-8-12/h9,12H,3-8,10,16H2,1-2H3,(H,17,19)
InChIKeyNEFOWSLMSGUZOX-UHFFFAOYSA-N
XLogP2.35
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.35
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-[[cyclohexyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 55214014
5-[(N,4-dimethylanilino)methyl]-3-methylfuran-2-carbohydrazide
CID 63585841
3-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbohydrazide
CID 63571014
methyl 3-methyl-5-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]furan-2-carboxylate
CID 79118658
N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine
CID 62424078
5-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 55214220
methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 39903877
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide
CID 115562526
5-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-methylfuran-2-carbohydrazide
CID 63578453
3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide
CID 63579656
3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63639193
5-[[2-cyanoethyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 63570130

Frequently Asked Questions

What is the IUPAC name of 5-[[cycloheptyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide?
The IUPAC name of 5-[[cycloheptyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide (CID 63572192) is 5-[[cycloheptyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide.
What is the SMILES notation for 5-[[cycloheptyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide?
The canonical SMILES for 5-[[cycloheptyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide is Cc1cc(CN(C)C2CCCCCC2)oc1C(=O)NN.
What is the InChIKey of 5-[[cycloheptyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide?
The InChIKey is NEFOWSLMSGUZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11-9-13(20-14(11)15(19)17-16)10-18(2)12-7-5-3-4-6-8-12/h9,12H,3-8,10,16H2,1-2H3,(H,17,19).
What are the key properties of 5-[[cycloheptyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide?
5-[[cycloheptyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide has a molecular weight of 279.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cycloheptyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63572192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).