3-[cyclohexylmethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

C13H27N3O2 — CID 55171713

IUPAC3-[cyclohexylmethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CC/C(N)=N/O)CC1CCCCC1
InChIInChI=1S/C13H27N3O2/c1-18-10-9-16(8-7-13(14)15-17)11-12-5-3-2-4-6-12/h12,17H,2-11H2,1H3,(H2,14,15)
InChIKeyMWLDPVGLTMXIBB-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.65
Rot. Bonds8

About 3-[cyclohexylmethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

3-[cyclohexylmethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 55171713) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[cyclohexylmethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclohexylmethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
PubChem CID55171713
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-[cyclohexylmethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CC/C(N)=N/O)CC1CCCCC1
InChIInChI=1S/C13H27N3O2/c1-18-10-9-16(8-7-13(14)15-17)11-12-5-3-2-4-6-12/h12,17H,2-11H2,1H3,(H2,14,15)
InChIKeyMWLDPVGLTMXIBB-UHFFFAOYSA-N
XLogP1.65
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexylmethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclohexylmethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (CID 55171713) is 3-[cyclohexylmethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclohexylmethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclohexylmethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is COCCN(CC/C(N)=N/O)CC1CCCCC1.
What is the InChIKey of 3-[cyclohexylmethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is MWLDPVGLTMXIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-18-10-9-16(8-7-13(14)15-17)11-12-5-3-2-4-6-12/h12,17H,2-11H2,1H3,(H2,14,15).
What are the key properties of 3-[cyclohexylmethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
3-[cyclohexylmethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 257.38 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexylmethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 55171713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).