1-[(3-hydroxyoxolan-3-yl)methyl]-2-methylguanidine

C7H15N3O2 — CID 103847255

IUPAC1-[(3-hydroxyoxolan-3-yl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCC1(O)CCOC1
InChIInChI=1S/C7H15N3O2/c1-9-6(8)10-4-7(11)2-3-12-5-7/h11H,2-5H2,1H3,(H3,8,9,10)
InChIKeyFWWYKVZGGWQLIK-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.33
Rot. Bonds2

About 1-[(3-hydroxyoxolan-3-yl)methyl]-2-methylguanidine

1-[(3-hydroxyoxolan-3-yl)methyl]-2-methylguanidine (PubChem CID 103847255) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-[(3-hydroxyoxolan-3-yl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(3-hydroxyoxolan-3-yl)methyl]-2-methylguanidine
PubChem CID103847255
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name1-[(3-hydroxyoxolan-3-yl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCC1(O)CCOC1
InChIInChI=1S/C7H15N3O2/c1-9-6(8)10-4-7(11)2-3-12-5-7/h11H,2-5H2,1H3,(H3,8,9,10)
InChIKeyFWWYKVZGGWQLIK-UHFFFAOYSA-N
XLogP-1.33
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.33
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

3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxolan-3-ol
CID 103847253
1-Cyclopropyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine
CID 103847254
1-[(3-Methoxyoxolan-3-yl)methyl]-2-methylguanidine
CID 104704460
2-[(3-Methoxyoxolan-3-yl)methyl]-1-propylguanidine
CID 104704492
2-[(3-Hydroxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine
CID 106101997
1-Ethyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine
CID 106101998
2-[(3-Hydroxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine
CID 106101999
2-[(3-Hydroxyoxolan-3-yl)methyl]-1-propylguanidine
CID 106102002
1-Tert-butyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine
CID 106102003
1-[(3-Hydroxy-2-methyloxolan-3-yl)methyl]-2-methylguanidine
CID 107265854
1-Ethyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine
CID 107265935
2-[(3-Hydroxy-2-methyloxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine
CID 107265936

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxyoxolan-3-yl)methyl]-2-methylguanidine?
The IUPAC name of 1-[(3-hydroxyoxolan-3-yl)methyl]-2-methylguanidine (CID 103847255) is 1-[(3-hydroxyoxolan-3-yl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[(3-hydroxyoxolan-3-yl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[(3-hydroxyoxolan-3-yl)methyl]-2-methylguanidine is C/N=C(\N)NCC1(O)CCOC1.
What is the InChIKey of 1-[(3-hydroxyoxolan-3-yl)methyl]-2-methylguanidine?
The InChIKey is FWWYKVZGGWQLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-9-6(8)10-4-7(11)2-3-12-5-7/h11H,2-5H2,1H3,(H3,8,9,10).
What are the key properties of 1-[(3-hydroxyoxolan-3-yl)methyl]-2-methylguanidine?
1-[(3-hydroxyoxolan-3-yl)methyl]-2-methylguanidine has a molecular weight of 173.22 g/mol, XLogP of -1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxyoxolan-3-yl)methyl]-2-methylguanidine is sourced from PubChem (CID 103847255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).