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

C8H17N3O2 — CID 104704460

IUPAC1-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCC1(OC)CCOC1
InChIInChI=1S/C8H17N3O2/c1-10-7(9)11-5-8(12-2)3-4-13-6-8/h3-6H2,1-2H3,(H3,9,10,11)
InChIKeyKOJLQMBVTLMKNZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.67
Rot. Bonds3

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

1-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine (PubChem CID 104704460) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine
PubChem CID104704460
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name1-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCC1(OC)CCOC1
InChIInChI=1S/C8H17N3O2/c1-10-7(9)11-5-8(12-2)3-4-13-6-8/h3-6H2,1-2H3,(H3,9,10,11)
InChIKeyKOJLQMBVTLMKNZ-UHFFFAOYSA-N
XLogP-0.67
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
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

1-[(3-Hydroxyoxolan-3-yl)methyl]-2-methylguanidine
CID 103847255
1-Cyclopropyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104704459
N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 104704461
1-Ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104704486
1-Tert-butyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104704487
2-[(3-Methoxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine
CID 104704488
2-[(3-Methoxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine
CID 104704489
1-Cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104704491
2-[(3-Methoxyoxolan-3-yl)methyl]-1-propylguanidine
CID 104704492
N-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 104760800
1-Amino-3-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine
CID 104882482
2-[(3-Hydroxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine
CID 106101997

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine?
The IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine (CID 104704460) is 1-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine is C/N=C(\N)NCC1(OC)CCOC1.
What is the InChIKey of 1-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine?
The InChIKey is KOJLQMBVTLMKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-10-7(9)11-5-8(12-2)3-4-13-6-8/h3-6H2,1-2H3,(H3,9,10,11).
What are the key properties of 1-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine?
1-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine has a molecular weight of 187.24 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine is sourced from PubChem (CID 104704460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).