4-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

C14H29N3O2 — CID 77061857

IUPAC4-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCN(CCO)C1CCCCC1)C(N)=NO
InChIInChI=1S/C14H29N3O2/c1-14(2,13(15)16-19)8-9-17(10-11-18)12-6-4-3-5-7-12/h12,18-19H,3-11H2,1-2H3,(H2,15,16)
InChIKeyFXGUGTKAQSQXSU-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.78
Rot. Bonds7

About 4-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

4-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77061857) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77061857
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name4-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCN(CCO)C1CCCCC1)C(N)=NO
InChIInChI=1S/C14H29N3O2/c1-14(2,13(15)16-19)8-9-17(10-11-18)12-6-4-3-5-7-12/h12,18-19H,3-11H2,1-2H3,(H2,15,16)
InChIKeyFXGUGTKAQSQXSU-UHFFFAOYSA-N
XLogP1.78
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.78
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 4-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77061857) is 4-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is CC(C)(CCN(CCO)C1CCCCC1)C(N)=NO.
What is the InChIKey of 4-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is FXGUGTKAQSQXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-14(2,13(15)16-19)8-9-17(10-11-18)12-6-4-3-5-7-12/h12,18-19H,3-11H2,1-2H3,(H2,15,16).
What are the key properties of 4-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
4-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 271.40 g/mol, XLogP of 1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77061857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).