2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]guanidine

C7H15N3O2 — CID 158234453

IUPAC2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]guanidine
SMILESCC1(C)OCC(CN=C(N)N)O1
InChIInChI=1S/C7H15N3O2/c1-7(2)11-4-5(12-7)3-10-6(8)9/h5H,3-4H2,1-2H3,(H4,8,9,10)
InChIKeySAONRPVAGDEDEO-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.59
Rot. Bonds2

About 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]guanidine

2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]guanidine (PubChem CID 158234453) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]guanidine
PubChem CID158234453
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]guanidine
SMILESCC1(C)OCC(CN=C(N)N)O1
InChIInChI=1S/C7H15N3O2/c1-7(2)11-4-5(12-7)3-10-6(8)9/h5H,3-4H2,1-2H3,(H4,8,9,10)
InChIKeySAONRPVAGDEDEO-UHFFFAOYSA-N
XLogP-0.59
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.59
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]guanidine?
The IUPAC name of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]guanidine (CID 158234453) is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]guanidine.
What is the SMILES notation for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]guanidine?
The canonical SMILES for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]guanidine is CC1(C)OCC(CN=C(N)N)O1.
What is the InChIKey of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]guanidine?
The InChIKey is SAONRPVAGDEDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-7(2)11-4-5(12-7)3-10-6(8)9/h5H,3-4H2,1-2H3,(H4,8,9,10).
What are the key properties of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]guanidine?
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]guanidine has a molecular weight of 173.22 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]guanidine is sourced from PubChem (CID 158234453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).