2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide

C13H25N3O — CID 120663210

IUPAC2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide
SMILESCC1CCC(C/N=C(\N)N2CCOC(C)C2)C1
InChIInChI=1S/C13H25N3O/c1-10-3-4-12(7-10)8-15-13(14)16-5-6-17-11(2)9-16/h10-12H,3-9H2,1-2H3,(H2,14,15)
InChIKeyAMDZZUTXFBCYOF-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.46
Rot. Bonds2

About 2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide

2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide (PubChem CID 120663210) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide
PubChem CID120663210
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide
SMILESCC1CCC(C/N=C(\N)N2CCOC(C)C2)C1
InChIInChI=1S/C13H25N3O/c1-10-3-4-12(7-10)8-15-13(14)16-5-6-17-11(2)9-16/h10-12H,3-9H2,1-2H3,(H2,14,15)
InChIKeyAMDZZUTXFBCYOF-UHFFFAOYSA-N
XLogP1.46
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide?
The IUPAC name of 2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide (CID 120663210) is 2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for 2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for 2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide is CC1CCC(C/N=C(\N)N2CCOC(C)C2)C1.
What is the InChIKey of 2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide?
The InChIKey is AMDZZUTXFBCYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10-3-4-12(7-10)8-15-13(14)16-5-6-17-11(2)9-16/h10-12H,3-9H2,1-2H3,(H2,14,15).
What are the key properties of 2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide?
2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide has a molecular weight of 239.36 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 120663210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).