5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide

C13H21N3O3 — CID 63571424

IUPAC5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide
SMILESCc1ccc(CN(C)CC2CCC(C(=O)NN)O2)o1
InChIInChI=1S/C13H21N3O3/c1-9-3-4-10(18-9)7-16(2)8-11-5-6-12(19-11)13(17)15-14/h3-4,11-12H,5-8,14H2,1-2H3,(H,15,17)
InChIKeyHTBZWBTVJLVLLU-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.56
Rot. Bonds5

About 5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide

5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide (PubChem CID 63571424) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide
PubChem CID63571424
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide
SMILESCc1ccc(CN(C)CC2CCC(C(=O)NN)O2)o1
InChIInChI=1S/C13H21N3O3/c1-9-3-4-10(18-9)7-16(2)8-11-5-6-12(19-11)13(17)15-14/h3-4,11-12H,5-8,14H2,1-2H3,(H,15,17)
InChIKeyHTBZWBTVJLVLLU-UHFFFAOYSA-N
XLogP0.56
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-methyl-1-[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolan-2-yl]methanamine
CID 62422461
5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
CID 63583144
5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
CID 63583170
5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide
CID 55227615
5-[[2-methoxyethyl(methyl)amino]methyl]oxolane-2-carbohydrazide
CID 63577680
(2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944233
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 16768485
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115221615
3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine
CID 66009251
5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide
CID 63578397
N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 55085461

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide (CID 63571424) is 5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide is Cc1ccc(CN(C)CC2CCC(C(=O)NN)O2)o1.
What is the InChIKey of 5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide?
The InChIKey is HTBZWBTVJLVLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9-3-4-10(18-9)7-16(2)8-11-5-6-12(19-11)13(17)15-14/h3-4,11-12H,5-8,14H2,1-2H3,(H,15,17).
What are the key properties of 5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide?
5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide has a molecular weight of 267.33 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63571424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).