2-[2-(1,3-dioxolan-2-yl)ethyl]guanidine

C6H13N3O2 — CID 13004280

IUPAC2-[2-(1,3-dioxolan-2-yl)ethyl]guanidine
SMILESNC(N)=NCCC1OCCO1
InChIInChI=1S/C6H13N3O2/c7-6(8)9-2-1-5-10-3-4-11-5/h5H,1-4H2,(H4,7,8,9)
InChIKeySAKMCFBPMCUJTR-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.98
Rot. Bonds3

About 2-[2-(1,3-dioxolan-2-yl)ethyl]guanidine

2-[2-(1,3-dioxolan-2-yl)ethyl]guanidine (PubChem CID 13004280) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-[2-(1,3-dioxolan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(1,3-dioxolan-2-yl)ethyl]guanidine
PubChem CID13004280
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name2-[2-(1,3-dioxolan-2-yl)ethyl]guanidine
SMILESNC(N)=NCCC1OCCO1
InChIInChI=1S/C6H13N3O2/c7-6(8)9-2-1-5-10-3-4-11-5/h5H,1-4H2,(H4,7,8,9)
InChIKeySAKMCFBPMCUJTR-UHFFFAOYSA-N
XLogP-0.98
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.98
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-(1,3-dioxolan-2-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(1,3-dioxolan-2-yl)ethyl]guanidine (CID 13004280) is 2-[2-(1,3-dioxolan-2-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(1,3-dioxolan-2-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(1,3-dioxolan-2-yl)ethyl]guanidine is NC(N)=NCCC1OCCO1.
What is the InChIKey of 2-[2-(1,3-dioxolan-2-yl)ethyl]guanidine?
The InChIKey is SAKMCFBPMCUJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c7-6(8)9-2-1-5-10-3-4-11-5/h5H,1-4H2,(H4,7,8,9).
What are the key properties of 2-[2-(1,3-dioxolan-2-yl)ethyl]guanidine?
2-[2-(1,3-dioxolan-2-yl)ethyl]guanidine has a molecular weight of 159.19 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxolan-2-yl)ethyl]guanidine is sourced from PubChem (CID 13004280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).