3-methoxy-2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide

C12H25N3O2 — CID 103229662

IUPAC3-methoxy-2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide
SMILESCOCC(C(=O)NN)N(C)C1CCC(C)CC1
InChIInChI=1S/C12H25N3O2/c1-9-4-6-10(7-5-9)15(2)11(8-17-3)12(16)14-13/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyKECOLNNCIMTGPV-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.50
Rot. Bonds5

About 3-methoxy-2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide

3-methoxy-2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide (PubChem CID 103229662) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-methoxy-2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide.

Molecular Properties

Compound Name3-methoxy-2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide
PubChem CID103229662
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-methoxy-2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide
SMILESCOCC(C(=O)NN)N(C)C1CCC(C)CC1
InChIInChI=1S/C12H25N3O2/c1-9-4-6-10(7-5-9)15(2)11(8-17-3)12(16)14-13/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyKECOLNNCIMTGPV-UHFFFAOYSA-N
XLogP0.50
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.50
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

3-Methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]propanehydrazide
CID 103229730
3-Methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propanehydrazide
CID 113791100
2-[Methyl-(4-methylcyclohexyl)amino]propanehydrazide
CID 63579470
1-(1-Hydrazinyl-3-methoxy-1-oxopropan-2-yl)piperidine-4-carboxamide
CID 103229434
2-(3,5-Dimethylpiperidin-1-yl)-3-methoxypropanehydrazide
CID 103229437
3-Methoxy-2-(4-methylpiperidin-1-yl)propanehydrazide
CID 103229441
3-Methoxy-2-(2-methylpiperidin-1-yl)propanehydrazide
CID 103229445
3-Methoxy-2-(3-methylpiperidin-1-yl)propanehydrazide
CID 103229448
2-[Cyclohexyl(methyl)amino]-3-methoxypropanehydrazide
CID 103229474
2-(2-Ethylpiperidin-1-yl)-3-methoxypropanehydrazide
CID 103229494
3-Methoxy-2-[methyl(2-methylbutyl)amino]propanehydrazide
CID 103229502
3-Methoxy-2-[methyl(pentyl)amino]propanehydrazide
CID 103229503

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide?
The IUPAC name of 3-methoxy-2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide (CID 103229662) is 3-methoxy-2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide.
What is the SMILES notation for 3-methoxy-2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide?
The canonical SMILES for 3-methoxy-2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide is COCC(C(=O)NN)N(C)C1CCC(C)CC1.
What is the InChIKey of 3-methoxy-2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide?
The InChIKey is KECOLNNCIMTGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9-4-6-10(7-5-9)15(2)11(8-17-3)12(16)14-13/h9-11H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 3-methoxy-2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide?
3-methoxy-2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide has a molecular weight of 243.35 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide is sourced from PubChem (CID 103229662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).