2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide

C14H23N3O2 — CID 63625273

IUPAC2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide
SMILESCc1oc(CN2CCCC(C)CC2)cc1C(=O)NN
InChIInChI=1S/C14H23N3O2/c1-10-4-3-6-17(7-5-10)9-12-8-13(11(2)19-12)14(18)16-15/h8,10H,3-7,9,15H2,1-2H3,(H,16,18)
InChIKeyMLCCIKIONJJTKI-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.81
Rot. Bonds3

About 2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide

2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63625273) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63625273
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide
SMILESCc1oc(CN2CCCC(C)CC2)cc1C(=O)NN
InChIInChI=1S/C14H23N3O2/c1-10-4-3-6-17(7-5-10)9-12-8-13(11(2)19-12)14(18)16-15/h8,10H,3-7,9,15H2,1-2H3,(H,16,18)
InChIKeyMLCCIKIONJJTKI-UHFFFAOYSA-N
XLogP1.81
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

2,5-dimethyl-N-(morpholin-4-yl)furan-3-carboxamide
CID 1244005
1-(2,5-dimethylfuran-3-carbonyl)-N-ethylazepane-4-carboxamide
CID 49789634
[4-hydrazinocarbonyl-5-(N-morpholinomethyl)fur-2-yl]acetyl hydrazine
CID 129769204
2-Methyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide
CID 55214026
2-[[(3-Fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
CID 63571173
5-[[(3-Fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide
CID 63571175
5-[[(3-Fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
CID 63571176
5-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide
CID 63571651
5-[[1-(2-Fluorophenyl)ethyl-methylamino]methyl]furan-3-carbohydrazide
CID 63573795
2-[[1-(2-Fluorophenyl)ethyl-methylamino]methyl]furan-3-carbohydrazide
CID 63574150
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide
CID 63574283
2-[[(4-Fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
CID 63577745

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide (CID 63625273) is 2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide is Cc1oc(CN2CCCC(C)CC2)cc1C(=O)NN.
What is the InChIKey of 2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is MLCCIKIONJJTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-4-3-6-17(7-5-10)9-12-8-13(11(2)19-12)14(18)16-15/h8,10H,3-7,9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide?
2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 265.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63625273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).