3-(2-cyclohexyloxyethylamino)-N'-hydroxypentanimidamide

C13H27N3O2 — CID 77029920

IUPAC3-(2-cyclohexyloxyethylamino)-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NCCOC1CCCCC1
InChIInChI=1S/C13H27N3O2/c1-2-11(10-13(14)16-17)15-8-9-18-12-6-4-3-5-7-12/h11-12,15,17H,2-10H2,1H3,(H2,14,16)
InChIKeyHYSKYPQUSSGSOI-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.84
Rot. Bonds8

About 3-(2-cyclohexyloxyethylamino)-N'-hydroxypentanimidamide

3-(2-cyclohexyloxyethylamino)-N'-hydroxypentanimidamide (PubChem CID 77029920) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(2-cyclohexyloxyethylamino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(2-cyclohexyloxyethylamino)-N'-hydroxypentanimidamide
PubChem CID77029920
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-(2-cyclohexyloxyethylamino)-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NCCOC1CCCCC1
InChIInChI=1S/C13H27N3O2/c1-2-11(10-13(14)16-17)15-8-9-18-12-6-4-3-5-7-12/h11-12,15,17H,2-10H2,1H3,(H2,14,16)
InChIKeyHYSKYPQUSSGSOI-UHFFFAOYSA-N
XLogP1.84
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-cyclohexyloxyethylamino)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(2-cyclohexyloxyethylamino)-N'-hydroxypentanimidamide (CID 77029920) is 3-(2-cyclohexyloxyethylamino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(2-cyclohexyloxyethylamino)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(2-cyclohexyloxyethylamino)-N'-hydroxypentanimidamide is CCC(CC(N)=NO)NCCOC1CCCCC1.
What is the InChIKey of 3-(2-cyclohexyloxyethylamino)-N'-hydroxypentanimidamide?
The InChIKey is HYSKYPQUSSGSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-2-11(10-13(14)16-17)15-8-9-18-12-6-4-3-5-7-12/h11-12,15,17H,2-10H2,1H3,(H2,14,16).
What are the key properties of 3-(2-cyclohexyloxyethylamino)-N'-hydroxypentanimidamide?
3-(2-cyclohexyloxyethylamino)-N'-hydroxypentanimidamide has a molecular weight of 257.38 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexyloxyethylamino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 77029920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).