2-methyl-1-(oxolan-3-ylmethyl)guanidine

C7H15N3O — CID 16760148

IUPAC2-methyl-1-(oxolan-3-ylmethyl)guanidine
SMILESC/N=C(\N)NCC1CCOC1
InChIInChI=1S/C7H15N3O/c1-9-7(8)10-4-6-2-3-11-5-6/h6H,2-5H2,1H3,(H3,8,9,10)
InChIKeyDGBWASUSQBEAOY-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.44
Rot. Bonds2

About 2-methyl-1-(oxolan-3-ylmethyl)guanidine

2-methyl-1-(oxolan-3-ylmethyl)guanidine (PubChem CID 16760148) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-methyl-1-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(oxolan-3-ylmethyl)guanidine
PubChem CID16760148
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-methyl-1-(oxolan-3-ylmethyl)guanidine
SMILESC/N=C(\N)NCC1CCOC1
InChIInChI=1S/C7H15N3O/c1-9-7(8)10-4-6-2-3-11-5-6/h6H,2-5H2,1H3,(H3,8,9,10)
InChIKeyDGBWASUSQBEAOY-UHFFFAOYSA-N
XLogP-0.44
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.44
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-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 2-methyl-1-(oxolan-3-ylmethyl)guanidine (CID 16760148) is 2-methyl-1-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 2-methyl-1-(oxolan-3-ylmethyl)guanidine is C/N=C(\N)NCC1CCOC1.
What is the InChIKey of 2-methyl-1-(oxolan-3-ylmethyl)guanidine?
The InChIKey is DGBWASUSQBEAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-9-7(8)10-4-6-2-3-11-5-6/h6H,2-5H2,1H3,(H3,8,9,10).
What are the key properties of 2-methyl-1-(oxolan-3-ylmethyl)guanidine?
2-methyl-1-(oxolan-3-ylmethyl)guanidine has a molecular weight of 157.22 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 16760148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).