2-(2-cyclohexylethylamino)-N'-hydroxypropanimidamide

C11H23N3O — CID 77027372

IUPAC2-(2-cyclohexylethylamino)-N'-hydroxypropanimidamide
SMILESCC(NCCC1CCCCC1)C(N)=NO
InChIInChI=1S/C11H23N3O/c1-9(11(12)14-15)13-8-7-10-5-3-2-4-6-10/h9-10,13,15H,2-8H2,1H3,(H2,12,14)
InChIKeyOJLRFIXQTJMYAY-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.68
Rot. Bonds5

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

2-(2-cyclohexylethylamino)-N'-hydroxypropanimidamide (PubChem CID 77027372) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(2-cyclohexylethylamino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(2-cyclohexylethylamino)-N'-hydroxypropanimidamide
PubChem CID77027372
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-(2-cyclohexylethylamino)-N'-hydroxypropanimidamide
SMILESCC(NCCC1CCCCC1)C(N)=NO
InChIInChI=1S/C11H23N3O/c1-9(11(12)14-15)13-8-7-10-5-3-2-4-6-10/h9-10,13,15H,2-8H2,1H3,(H2,12,14)
InChIKeyOJLRFIXQTJMYAY-UHFFFAOYSA-N
XLogP1.68
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.68
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'-hydroxypropanimidamide?
The IUPAC name of 2-(2-cyclohexylethylamino)-N'-hydroxypropanimidamide (CID 77027372) is 2-(2-cyclohexylethylamino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(2-cyclohexylethylamino)-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(2-cyclohexylethylamino)-N'-hydroxypropanimidamide is CC(NCCC1CCCCC1)C(N)=NO.
What is the InChIKey of 2-(2-cyclohexylethylamino)-N'-hydroxypropanimidamide?
The InChIKey is OJLRFIXQTJMYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(11(12)14-15)13-8-7-10-5-3-2-4-6-10/h9-10,13,15H,2-8H2,1H3,(H2,12,14).
What are the key properties of 2-(2-cyclohexylethylamino)-N'-hydroxypropanimidamide?
2-(2-cyclohexylethylamino)-N'-hydroxypropanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethylamino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 77027372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).