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

C10H19N3O2 — CID 110032968

IUPAC1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine
SMILESCC1(CC/N=C(\N)NC2CC2)OCCO1
InChIInChI=1S/C10H19N3O2/c1-10(14-6-7-15-10)4-5-12-9(11)13-8-2-3-8/h8H,2-7H2,1H3,(H3,11,12,13)
InChIKeyJJLDUYLTQMISLR-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.21
Rot. Bonds4

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

1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine (PubChem CID 110032968) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine
PubChem CID110032968
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine
SMILESCC1(CC/N=C(\N)NC2CC2)OCCO1
InChIInChI=1S/C10H19N3O2/c1-10(14-6-7-15-10)4-5-12-9(11)13-8-2-3-8/h8H,2-7H2,1H3,(H3,11,12,13)
InChIKeyJJLDUYLTQMISLR-UHFFFAOYSA-N
XLogP0.21
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.21
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'}

Analyze 1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine (CID 110032968) is 1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine is CC1(CC/N=C(\N)NC2CC2)OCCO1.
What is the InChIKey of 1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine?
The InChIKey is JJLDUYLTQMISLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-10(14-6-7-15-10)4-5-12-9(11)13-8-2-3-8/h8H,2-7H2,1H3,(H3,11,12,13).
What are the key properties of 1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine?
1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine has a molecular weight of 213.28 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine is sourced from PubChem (CID 110032968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).