3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide

C12H23N3O — CID 63762406

IUPAC3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1C2CCC1CC(O)C2
InChIInChI=1S/C12H23N3O/c1-2-8(7-12(13)14)15-9-3-4-10(15)6-11(16)5-9/h8-11,16H,2-7H2,1H3,(H3,13,14)
InChIKeyWUEAYMNUYPFMEL-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.08
Rot. Bonds4

About 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide

3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide (PubChem CID 63762406) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide.

Molecular Properties

Compound Name3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide
PubChem CID63762406
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1C2CCC1CC(O)C2
InChIInChI=1S/C12H23N3O/c1-2-8(7-12(13)14)15-9-3-4-10(15)6-11(16)5-9/h8-11,16H,2-7H2,1H3,(H3,13,14)
InChIKeyWUEAYMNUYPFMEL-UHFFFAOYSA-N
XLogP1.08
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.08
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'}

Analyze 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tropane-8-propionamide, 3-hydroxy-, oxime, dihydrochloride
CID 9588273
N'-hydroxy-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide
CID 5746329
3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanimidamide
CID 103369439
3,3,3-Trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanimidamide
CID 103370748
1-Amino-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 53899697
N'-hydroxy-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide
CID 3057121
3-[2-(2-Hydroxyethyl)piperidin-1-yl]propanimidamide
CID 24700500
4-[2-(2-Hydroxyethyl)piperidin-1-yl]butanimidamide
CID 24709285
3-[2-(2-Hydroxyethyl)piperidin-1-yl]pentanimidamide
CID 43368010
3-[2-(2-Hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43368014
N'-hydroxy-5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide
CID 55237792
3-[2-(2-Hydroxyethyl)piperidin-1-yl]butanimidamide
CID 60914694

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide?
The IUPAC name of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide (CID 63762406) is 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide.
What is the SMILES notation for 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide?
The canonical SMILES for 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide is [H]/N=C(\N)CC(CC)N1C2CCC1CC(O)C2.
What is the InChIKey of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide?
The InChIKey is WUEAYMNUYPFMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-8(7-12(13)14)15-9-3-4-10(15)6-11(16)5-9/h8-11,16H,2-7H2,1H3,(H3,13,14).
What are the key properties of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide?
3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide has a molecular weight of 225.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentanimidamide is sourced from PubChem (CID 63762406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).