N'-cyclohexyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboximidamide

C14H25N3O — CID 63768427

IUPACN'-cyclohexyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboximidamide
SMILESN/C(=N\C1CCCCC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H25N3O/c15-14(16-10-4-2-1-3-5-10)17-11-6-7-12(17)9-13(18)8-11/h10-13,18H,1-9H2,(H2,15,16)
InChIKeyVRCZYYFKXFHHBH-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.62
Rot. Bonds1

About N'-cyclohexyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboximidamide

N'-cyclohexyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboximidamide (PubChem CID 63768427) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N'-cyclohexyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboximidamide
PubChem CID63768427
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN'-cyclohexyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboximidamide
SMILESN/C(=N\C1CCCCC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H25N3O/c15-14(16-10-4-2-1-3-5-10)17-11-6-7-12(17)9-13(18)8-11/h10-13,18H,1-9H2,(H2,15,16)
InChIKeyVRCZYYFKXFHHBH-UHFFFAOYSA-N
XLogP1.62
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
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 N'-cyclohexyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboximidamide?
The IUPAC name of N'-cyclohexyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboximidamide (CID 63768427) is N'-cyclohexyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboximidamide?
The canonical SMILES for N'-cyclohexyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboximidamide is N/C(=N\C1CCCCC1)N1C2CCC1CC(O)C2.
What is the InChIKey of N'-cyclohexyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboximidamide?
The InChIKey is VRCZYYFKXFHHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c15-14(16-10-4-2-1-3-5-10)17-11-6-7-12(17)9-13(18)8-11/h10-13,18H,1-9H2,(H2,15,16).
What are the key properties of N'-cyclohexyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboximidamide?
N'-cyclohexyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboximidamide has a molecular weight of 251.37 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboximidamide is sourced from PubChem (CID 63768427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).