2-methyl-1-[2-(oxolan-2-yl)ethyl]guanidine

C8H17N3O — CID 62359897

IUPAC2-methyl-1-[2-(oxolan-2-yl)ethyl]guanidine
SMILESC/N=C(\N)NCCC1CCCO1
InChIInChI=1S/C8H17N3O/c1-10-8(9)11-5-4-7-3-2-6-12-7/h7H,2-6H2,1H3,(H3,9,10,11)
InChIKeyLRDWENOREMMZJG-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.09
Rot. Bonds3

About 2-methyl-1-[2-(oxolan-2-yl)ethyl]guanidine

2-methyl-1-[2-(oxolan-2-yl)ethyl]guanidine (PubChem CID 62359897) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methyl-1-[2-(oxolan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(oxolan-2-yl)ethyl]guanidine
PubChem CID62359897
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-methyl-1-[2-(oxolan-2-yl)ethyl]guanidine
SMILESC/N=C(\N)NCCC1CCCO1
InChIInChI=1S/C8H17N3O/c1-10-8(9)11-5-4-7-3-2-6-12-7/h7H,2-6H2,1H3,(H3,9,10,11)
InChIKeyLRDWENOREMMZJG-UHFFFAOYSA-N
XLogP0.09
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(oxolan-2-yl)ethyl]guanidine?
The IUPAC name of 2-methyl-1-[2-(oxolan-2-yl)ethyl]guanidine (CID 62359897) is 2-methyl-1-[2-(oxolan-2-yl)ethyl]guanidine.
What is the SMILES notation for 2-methyl-1-[2-(oxolan-2-yl)ethyl]guanidine?
The canonical SMILES for 2-methyl-1-[2-(oxolan-2-yl)ethyl]guanidine is C/N=C(\N)NCCC1CCCO1.
What is the InChIKey of 2-methyl-1-[2-(oxolan-2-yl)ethyl]guanidine?
The InChIKey is LRDWENOREMMZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-10-8(9)11-5-4-7-3-2-6-12-7/h7H,2-6H2,1H3,(H3,9,10,11).
What are the key properties of 2-methyl-1-[2-(oxolan-2-yl)ethyl]guanidine?
2-methyl-1-[2-(oxolan-2-yl)ethyl]guanidine has a molecular weight of 171.24 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(oxolan-2-yl)ethyl]guanidine is sourced from PubChem (CID 62359897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).