1-(2,5-dimethyloxolan-3-yl)-2-methylguanidine

C8H17N3O — CID 130757939

IUPAC1-(2,5-dimethyloxolan-3-yl)-2-methylguanidine
SMILESC/N=C(\N)NC1CC(C)OC1C
InChIInChI=1S/C8H17N3O/c1-5-4-7(6(2)12-5)11-8(9)10-3/h5-7H,4H2,1-3H3,(H3,9,10,11)
InChIKeyZHCQOYIWNKDKKF-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.09
Rot. Bonds1

About 1-(2,5-dimethyloxolan-3-yl)-2-methylguanidine

1-(2,5-dimethyloxolan-3-yl)-2-methylguanidine (PubChem CID 130757939) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(2,5-dimethyloxolan-3-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-(2,5-dimethyloxolan-3-yl)-2-methylguanidine
PubChem CID130757939
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-(2,5-dimethyloxolan-3-yl)-2-methylguanidine
SMILESC/N=C(\N)NC1CC(C)OC1C
InChIInChI=1S/C8H17N3O/c1-5-4-7(6(2)12-5)11-8(9)10-3/h5-7H,4H2,1-3H3,(H3,9,10,11)
InChIKeyZHCQOYIWNKDKKF-UHFFFAOYSA-N
XLogP0.09
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.09
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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Related Compounds

2-Methyl-1-(oxolan-3-yl)guanidine
CID 80713957
5-(cyclohexyloxymethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 121451389
(3aS,6aR)-4-methyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazol-2-amine
CID 55289013
1-Cyclopropyl-2-(3-ethoxypropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine
CID 56801544
2-Methyl-1-[1-(oxolan-2-yl)ethyl]guanidine
CID 62358443
1-(2-Methoxycyclopentyl)-2-methylguanidine
CID 62359163
2-Methyl-1-[2-(oxolan-2-yl)ethyl]guanidine
CID 62359897
N-Methyl-N'-[(oxan-2-yl)methyl]guanidine
CID 62360271
1-Ethyl-2-[2-(oxolan-2-yl)ethyl]guanidine
CID 62362444
1-[2-(Oxolan-2-yl)ethyl]-2-propylguanidine
CID 62362662
2-[2-(Oxolan-2-yl)ethyl]-1-propan-2-ylguanidine
CID 62362663
1-Cyclopropyl-2-[2-(oxolan-2-yl)ethyl]guanidine
CID 62362664

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyloxolan-3-yl)-2-methylguanidine?
The IUPAC name of 1-(2,5-dimethyloxolan-3-yl)-2-methylguanidine (CID 130757939) is 1-(2,5-dimethyloxolan-3-yl)-2-methylguanidine.
What is the SMILES notation for 1-(2,5-dimethyloxolan-3-yl)-2-methylguanidine?
The canonical SMILES for 1-(2,5-dimethyloxolan-3-yl)-2-methylguanidine is C/N=C(\N)NC1CC(C)OC1C.
What is the InChIKey of 1-(2,5-dimethyloxolan-3-yl)-2-methylguanidine?
The InChIKey is ZHCQOYIWNKDKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-5-4-7(6(2)12-5)11-8(9)10-3/h5-7H,4H2,1-3H3,(H3,9,10,11).
What are the key properties of 1-(2,5-dimethyloxolan-3-yl)-2-methylguanidine?
1-(2,5-dimethyloxolan-3-yl)-2-methylguanidine has a molecular weight of 171.24 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyloxolan-3-yl)-2-methylguanidine is sourced from PubChem (CID 130757939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).