2-hydroxy-3,4-dimethylcyclohexane-1-carboximidamide

C9H18N2O — CID 163692352

IUPAC2-hydroxy-3,4-dimethylcyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCC(C)C(C)C1O
InChIInChI=1S/C9H18N2O/c1-5-3-4-7(9(10)11)8(12)6(5)2/h5-8,12H,3-4H2,1-2H3,(H3,10,11)
InChIKeyJUASIZOPLPYFEU-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.97
Rot. Bonds1

About 2-hydroxy-3,4-dimethylcyclohexane-1-carboximidamide

2-hydroxy-3,4-dimethylcyclohexane-1-carboximidamide (PubChem CID 163692352) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-hydroxy-3,4-dimethylcyclohexane-1-carboximidamide.

Molecular Properties

Compound Name2-hydroxy-3,4-dimethylcyclohexane-1-carboximidamide
PubChem CID163692352
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-hydroxy-3,4-dimethylcyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCC(C)C(C)C1O
InChIInChI=1S/C9H18N2O/c1-5-3-4-7(9(10)11)8(12)6(5)2/h5-8,12H,3-4H2,1-2H3,(H3,10,11)
InChIKeyJUASIZOPLPYFEU-UHFFFAOYSA-N
XLogP0.97
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.97
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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4-dimethylcyclohexane-1-carboximidamide?
The IUPAC name of 2-hydroxy-3,4-dimethylcyclohexane-1-carboximidamide (CID 163692352) is 2-hydroxy-3,4-dimethylcyclohexane-1-carboximidamide.
What is the SMILES notation for 2-hydroxy-3,4-dimethylcyclohexane-1-carboximidamide?
The canonical SMILES for 2-hydroxy-3,4-dimethylcyclohexane-1-carboximidamide is [H]/N=C(\N)C1CCC(C)C(C)C1O.
What is the InChIKey of 2-hydroxy-3,4-dimethylcyclohexane-1-carboximidamide?
The InChIKey is JUASIZOPLPYFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-3-4-7(9(10)11)8(12)6(5)2/h5-8,12H,3-4H2,1-2H3,(H3,10,11).
What are the key properties of 2-hydroxy-3,4-dimethylcyclohexane-1-carboximidamide?
2-hydroxy-3,4-dimethylcyclohexane-1-carboximidamide has a molecular weight of 170.26 g/mol, XLogP of 0.97, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4-dimethylcyclohexane-1-carboximidamide is sourced from PubChem (CID 163692352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).