3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide

C12H25N3O2 — CID 54993985

IUPAC3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
SMILESCC(C/C(N)=N/O)N(CCO)C1CCCCC1
InChIInChI=1S/C12H25N3O2/c1-10(9-12(13)14-17)15(7-8-16)11-5-3-2-4-6-11/h10-11,16-17H,2-9H2,1H3,(H2,13,14)
InChIKeyNKOIPJHSFHHWJW-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.14
Rot. Bonds6

About 3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide

3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide (PubChem CID 54993985) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
PubChem CID54993985
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
SMILESCC(C/C(N)=N/O)N(CCO)C1CCCCC1
InChIInChI=1S/C12H25N3O2/c1-10(9-12(13)14-17)15(7-8-16)11-5-3-2-4-6-11/h10-11,16-17H,2-9H2,1H3,(H2,13,14)
InChIKeyNKOIPJHSFHHWJW-UHFFFAOYSA-N
XLogP1.14
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.14
H-Bond Donors ≤ 53
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-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide (CID 54993985) is 3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide is CC(C/C(N)=N/O)N(CCO)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is NKOIPJHSFHHWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(9-12(13)14-17)15(7-8-16)11-5-3-2-4-6-11/h10-11,16-17H,2-9H2,1H3,(H2,13,14).
What are the key properties of 3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 54993985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).