5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide

C13H25N3O3 — CID 55227615

IUPAC5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide
SMILESCN(CC1CCOCC1)CC1CCC(C(=O)NN)O1
InChIInChI=1S/C13H25N3O3/c1-16(8-10-4-6-18-7-5-10)9-11-2-3-12(19-11)13(17)15-14/h10-12H,2-9,14H2,1H3,(H,15,17)
InChIKeyMTTPBSCJLQKNTD-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.12
Rot. Bonds5

About 5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide

5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide (PubChem CID 55227615) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide
PubChem CID55227615
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide
SMILESCN(CC1CCOCC1)CC1CCC(C(=O)NN)O1
InChIInChI=1S/C13H25N3O3/c1-16(8-10-4-6-18-7-5-10)9-11-2-3-12(19-11)13(17)15-14/h10-12H,2-9,14H2,1H3,(H,15,17)
InChIKeyMTTPBSCJLQKNTD-UHFFFAOYSA-N
XLogP-0.12
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.12
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

5-[[2,2-dimethylpropyl(methyl)amino]methyl]oxolane-2-carbohydrazide
CID 63578014
5-[[2-methoxyethyl(methyl)amino]methyl]oxolane-2-carbohydrazide
CID 63577680
5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide
CID 63578397
5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide
CID 63571424
5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
CID 63578254
5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
CID 63583144
N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115261041
5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carbohydrazide
CID 63571905
3-methyl-2-[methyl(oxan-4-ylmethyl)amino]butanehydrazide
CID 63705691
5-(tert-butylsulfanylmethyl)oxolane-2-carbohydrazide
CID 63581177
5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
CID 63583170
methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate
CID 62386645

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide (CID 55227615) is 5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide is CN(CC1CCOCC1)CC1CCC(C(=O)NN)O1.
What is the InChIKey of 5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide?
The InChIKey is MTTPBSCJLQKNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-16(8-10-4-6-18-7-5-10)9-11-2-3-12(19-11)13(17)15-14/h10-12H,2-9,14H2,1H3,(H,15,17).
What are the key properties of 5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide?
5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide has a molecular weight of 271.36 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 55227615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).