5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide

C15H29N3O2 — CID 63578397

IUPAC5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide
SMILESCCC1CCC(N(C)CC2CCC(C(=O)NN)O2)CC1
InChIInChI=1S/C15H29N3O2/c1-3-11-4-6-12(7-5-11)18(2)10-13-8-9-14(20-13)15(19)17-16/h11-14H,3-10,16H2,1-2H3,(H,17,19)
InChIKeyZJOBDJZFZPMBML-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.42
Rot. Bonds5

About 5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide

5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide (PubChem CID 63578397) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide
PubChem CID63578397
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide
SMILESCCC1CCC(N(C)CC2CCC(C(=O)NN)O2)CC1
InChIInChI=1S/C15H29N3O2/c1-3-11-4-6-12(7-5-11)18(2)10-13-8-9-14(20-13)15(19)17-16/h11-14H,3-10,16H2,1-2H3,(H,17,19)
InChIKeyZJOBDJZFZPMBML-UHFFFAOYSA-N
XLogP1.42
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.42
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'}

Analyze 5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide with MolForge

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Related Compounds

5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide
CID 55227615
4-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methylcyclohexan-1-amine
CID 62412851
5-[[2,2-dimethylpropyl(methyl)amino]methyl]oxolane-2-carbohydrazide
CID 63578014
5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carbohydrazide
CID 63571905
5-[[2-methoxyethyl(methyl)amino]methyl]oxolane-2-carbohydrazide
CID 63577680
5-(tert-butylsulfanylmethyl)oxolane-2-carbohydrazide
CID 63581177
5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide
CID 63571424
3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanehydrazide
CID 79631547
5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
CID 63578254
5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
CID 63583144
5-[[methyl(piperidin-4-yl)amino]methyl]oxolane-2-carboxylic acid
CID 55053708
5-[[2-cyanopropyl(ethyl)amino]methyl]oxolane-2-carbohydrazide
CID 63583878

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide (CID 63578397) is 5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide is CCC1CCC(N(C)CC2CCC(C(=O)NN)O2)CC1.
What is the InChIKey of 5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide?
The InChIKey is ZJOBDJZFZPMBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-11-4-6-12(7-5-11)18(2)10-13-8-9-14(20-13)15(19)17-16/h11-14H,3-10,16H2,1-2H3,(H,17,19).
What are the key properties of 5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide?
5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide has a molecular weight of 283.42 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63578397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).