2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide

C15H21N3O — CID 107110287

IUPAC2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N1C2CCC1CC(O)C2
InChIInChI=1S/C15H21N3O/c1-9-3-2-4-13(15(16)17)14(9)18-10-5-6-11(18)8-12(19)7-10/h2-4,10-12,19H,5-8H2,1H3,(H3,16,17)
InChIKeyHIZYXLGHGBFRRB-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.77
Rot. Bonds2

About 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide

2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide (PubChem CID 107110287) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide
PubChem CID107110287
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N1C2CCC1CC(O)C2
InChIInChI=1S/C15H21N3O/c1-9-3-2-4-13(15(16)17)14(9)18-10-5-6-11(18)8-12(19)7-10/h2-4,10-12,19H,5-8H2,1H3,(H3,16,17)
InChIKeyHIZYXLGHGBFRRB-UHFFFAOYSA-N
XLogP1.77
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.77
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'}

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Related Compounds

N'-hydroxy-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide
CID 107109376
3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 107110421
2-chloro-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzenecarboximidamide
CID 63762400
2-fluoro-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzenecarboximidamide
CID 79519738
3-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]benzenecarboximidamide
CID 107110319
3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide
CID 107110466
2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide
CID 107109980
2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide
CID 107110480
3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 107110675
2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide
CID 107110473
4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790876
3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 107111025

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide?
The IUPAC name of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide (CID 107110287) is 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1N1C2CCC1CC(O)C2.
What is the InChIKey of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide?
The InChIKey is HIZYXLGHGBFRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-9-3-2-4-13(15(16)17)14(9)18-10-5-6-11(18)8-12(19)7-10/h2-4,10-12,19H,5-8H2,1H3,(H3,16,17).
What are the key properties of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide?
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide has a molecular weight of 259.35 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107110287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).