2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

C17H25N3O2 — CID 122082383

IUPAC2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESCC1OCCC1(O)C/N=C(\N)Nc1cccc2c1CCCC2
InChIInChI=1S/C17H25N3O2/c1-12-17(21,9-10-22-12)11-19-16(18)20-15-8-4-6-13-5-2-3-7-14(13)15/h4,6,8,12,21H,2-3,5,7,9-11H2,1H3,(H3,18,19,20)
InChIKeyQHRUGATVGWZTRI-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.83
Rot. Bonds3

About 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (PubChem CID 122082383) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
PubChem CID122082383
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESCC1OCCC1(O)C/N=C(\N)Nc1cccc2c1CCCC2
InChIInChI=1S/C17H25N3O2/c1-12-17(21,9-10-22-12)11-19-16(18)20-15-8-4-6-13-5-2-3-7-14(13)15/h4,6,8,12,21H,2-3,5,7,9-11H2,1H3,(H3,18,19,20)
InChIKeyQHRUGATVGWZTRI-UHFFFAOYSA-N
XLogP1.83
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.83
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

2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 120662779
2-(oxan-4-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 119142322
2-(oxolan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 119142304
2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720591
2-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 119147176
2-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 122099319
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721083
2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720856
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721400
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721686
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(thian-4-ylmethyl)guanidine
CID 119146810
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720763

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The IUPAC name of 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (CID 122082383) is 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.
What is the SMILES notation for 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The canonical SMILES for 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is CC1OCCC1(O)C/N=C(\N)Nc1cccc2c1CCCC2.
What is the InChIKey of 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The InChIKey is QHRUGATVGWZTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-17(21,9-10-22-12)11-19-16(18)20-15-8-4-6-13-5-2-3-7-14(13)15/h4,6,8,12,21H,2-3,5,7,9-11H2,1H3,(H3,18,19,20).
What are the key properties of 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine has a molecular weight of 303.41 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is sourced from PubChem (CID 122082383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).