2-hydroxy-2-(4-propylcyclohexyl)ethanimidamide

C11H22N2O — CID 118561965

IUPAC2-hydroxy-2-(4-propylcyclohexyl)ethanimidamide
SMILES[H]/N=C(\N)C(O)C1CCC(CCC)CC1
InChIInChI=1S/C11H22N2O/c1-2-3-8-4-6-9(7-5-8)10(14)11(12)13/h8-10,14H,2-7H2,1H3,(H3,12,13)
InChIKeyONJYJNZIQXJERZ-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.89
Rot. Bonds4

About 2-hydroxy-2-(4-propylcyclohexyl)ethanimidamide

2-hydroxy-2-(4-propylcyclohexyl)ethanimidamide (PubChem CID 118561965) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-hydroxy-2-(4-propylcyclohexyl)ethanimidamide.

Molecular Properties

Compound Name2-hydroxy-2-(4-propylcyclohexyl)ethanimidamide
PubChem CID118561965
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-hydroxy-2-(4-propylcyclohexyl)ethanimidamide
SMILES[H]/N=C(\N)C(O)C1CCC(CCC)CC1
InChIInChI=1S/C11H22N2O/c1-2-3-8-4-6-9(7-5-8)10(14)11(12)13/h8-10,14H,2-7H2,1H3,(H3,12,13)
InChIKeyONJYJNZIQXJERZ-UHFFFAOYSA-N
XLogP1.89
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-Hydroxy-4-pentylcyclohexane-1-carboximidamide
CID 69559745
3-Hydroxy-2-methyl-6-(2-methylcyclopropyl)hexanimidamide
CID 139317473
2-Hydroxy-3,4-dimethylcyclohexane-1-carboximidamide
CID 163692352
5-Hydroxycyclodecane-1-carboximidamide
CID 170372837
4-(Hydroxymethyl)cyclohexane-1-carboximidamide
CID 84071952
(2R,4R)-2-hydroxy-4,6,6-trimethylheptanimidamide
CID 99943238
(2R,4S)-2-hydroxy-4,6,6-trimethylheptanimidamide
CID 99943239
2-Cyclohexyl-2-methoxyethanimidamide
CID 116740227
2-Hydroxy-4,6,6-trimethylheptanimidamide hydrochloride
CID 117067177
2-Hydroxy-4,6,6-trimethylheptanimidamide
CID 117067178
(2S,4R)-2-hydroxy-4,6,6-trimethylheptanimidamide
CID 129373454
(2S,4S)-2-hydroxy-4,6,6-trimethylheptanimidamide
CID 129373455

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-propylcyclohexyl)ethanimidamide?
The IUPAC name of 2-hydroxy-2-(4-propylcyclohexyl)ethanimidamide (CID 118561965) is 2-hydroxy-2-(4-propylcyclohexyl)ethanimidamide.
What is the SMILES notation for 2-hydroxy-2-(4-propylcyclohexyl)ethanimidamide?
The canonical SMILES for 2-hydroxy-2-(4-propylcyclohexyl)ethanimidamide is [H]/N=C(\N)C(O)C1CCC(CCC)CC1.
What is the InChIKey of 2-hydroxy-2-(4-propylcyclohexyl)ethanimidamide?
The InChIKey is ONJYJNZIQXJERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-3-8-4-6-9(7-5-8)10(14)11(12)13/h8-10,14H,2-7H2,1H3,(H3,12,13).
What are the key properties of 2-hydroxy-2-(4-propylcyclohexyl)ethanimidamide?
2-hydroxy-2-(4-propylcyclohexyl)ethanimidamide has a molecular weight of 198.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-propylcyclohexyl)ethanimidamide is sourced from PubChem (CID 118561965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).