3-hydroxy-2-methyl-6-(2-methylcyclopropyl)hexanimidamide

C11H22N2O — CID 139317473

IUPAC3-hydroxy-2-methyl-6-(2-methylcyclopropyl)hexanimidamide
SMILES[H]/N=C(\N)C(C)C(O)CCCC1CC1C
InChIInChI=1S/C11H22N2O/c1-7-6-9(7)4-3-5-10(14)8(2)11(12)13/h7-10,14H,3-6H2,1-2H3,(H3,12,13)
InChIKeyXDEYERPKTZIGQH-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.75
Rot. Bonds6

About 3-hydroxy-2-methyl-6-(2-methylcyclopropyl)hexanimidamide

3-hydroxy-2-methyl-6-(2-methylcyclopropyl)hexanimidamide (PubChem CID 139317473) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-6-(2-methylcyclopropyl)hexanimidamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-6-(2-methylcyclopropyl)hexanimidamide
PubChem CID139317473
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-hydroxy-2-methyl-6-(2-methylcyclopropyl)hexanimidamide
SMILES[H]/N=C(\N)C(C)C(O)CCCC1CC1C
InChIInChI=1S/C11H22N2O/c1-7-6-9(7)4-3-5-10(14)8(2)11(12)13/h7-10,14H,3-6H2,1-2H3,(H3,12,13)
InChIKeyXDEYERPKTZIGQH-UHFFFAOYSA-N
XLogP1.75
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.75
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

2-Hydroxy-2-(4-propylcyclohexyl)ethanimidamide
CID 118561965
5-Hydroxycyclodecane-1-carboximidamide
CID 170372837
(2R,4R)-2-hydroxy-4,6,6-trimethylheptanimidamide
CID 99943238
(2R,4S)-2-hydroxy-4,6,6-trimethylheptanimidamide
CID 99943239
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 3-hydroxy-2-methyl-6-(2-methylcyclopropyl)hexanimidamide?
The IUPAC name of 3-hydroxy-2-methyl-6-(2-methylcyclopropyl)hexanimidamide (CID 139317473) is 3-hydroxy-2-methyl-6-(2-methylcyclopropyl)hexanimidamide.
What is the SMILES notation for 3-hydroxy-2-methyl-6-(2-methylcyclopropyl)hexanimidamide?
The canonical SMILES for 3-hydroxy-2-methyl-6-(2-methylcyclopropyl)hexanimidamide is [H]/N=C(\N)C(C)C(O)CCCC1CC1C.
What is the InChIKey of 3-hydroxy-2-methyl-6-(2-methylcyclopropyl)hexanimidamide?
The InChIKey is XDEYERPKTZIGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-7-6-9(7)4-3-5-10(14)8(2)11(12)13/h7-10,14H,3-6H2,1-2H3,(H3,12,13).
What are the key properties of 3-hydroxy-2-methyl-6-(2-methylcyclopropyl)hexanimidamide?
3-hydroxy-2-methyl-6-(2-methylcyclopropyl)hexanimidamide has a molecular weight of 198.31 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-6-(2-methylcyclopropyl)hexanimidamide is sourced from PubChem (CID 139317473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).