2-(2-cyclohexylethylamino)-N'-hydroxybutanimidamide

C12H25N3O — CID 77027163

IUPAC2-(2-cyclohexylethylamino)-N'-hydroxybutanimidamide
SMILESCCC(NCCC1CCCCC1)C(N)=NO
InChIInChI=1S/C12H25N3O/c1-2-11(12(13)15-16)14-9-8-10-6-4-3-5-7-10/h10-11,14,16H,2-9H2,1H3,(H2,13,15)
InChIKeyPEGNKWRXBLGNOJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.07
Rot. Bonds6

About 2-(2-cyclohexylethylamino)-N'-hydroxybutanimidamide

2-(2-cyclohexylethylamino)-N'-hydroxybutanimidamide (PubChem CID 77027163) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(2-cyclohexylethylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(2-cyclohexylethylamino)-N'-hydroxybutanimidamide
PubChem CID77027163
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(2-cyclohexylethylamino)-N'-hydroxybutanimidamide
SMILESCCC(NCCC1CCCCC1)C(N)=NO
InChIInChI=1S/C12H25N3O/c1-2-11(12(13)15-16)14-9-8-10-6-4-3-5-7-10/h10-11,14,16H,2-9H2,1H3,(H2,13,15)
InChIKeyPEGNKWRXBLGNOJ-UHFFFAOYSA-N
XLogP2.07
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-(2-cyclohexylethylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(2-cyclohexylethylamino)-N'-hydroxybutanimidamide (CID 77027163) is 2-(2-cyclohexylethylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(2-cyclohexylethylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(2-cyclohexylethylamino)-N'-hydroxybutanimidamide is CCC(NCCC1CCCCC1)C(N)=NO.
What is the InChIKey of 2-(2-cyclohexylethylamino)-N'-hydroxybutanimidamide?
The InChIKey is PEGNKWRXBLGNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-2-11(12(13)15-16)14-9-8-10-6-4-3-5-7-10/h10-11,14,16H,2-9H2,1H3,(H2,13,15).
What are the key properties of 2-(2-cyclohexylethylamino)-N'-hydroxybutanimidamide?
2-(2-cyclohexylethylamino)-N'-hydroxybutanimidamide has a molecular weight of 227.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77027163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).