3-amino-2-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine

C10H20N4O — CID 104887872

IUPAC3-amino-2-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine
SMILESCC1OCCC1N(C)/C(=N/C1CC1)NN
InChIInChI=1S/C10H20N4O/c1-7-9(5-6-15-7)14(2)10(13-11)12-8-3-4-8/h7-9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyGDZIQKVYIKDVKG-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.08
Rot. Bonds2

About 3-amino-2-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine

3-amino-2-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine (PubChem CID 104887872) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-amino-2-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine.

Molecular Properties

Compound Name3-amino-2-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine
PubChem CID104887872
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name3-amino-2-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine
SMILESCC1OCCC1N(C)/C(=N/C1CC1)NN
InChIInChI=1S/C10H20N4O/c1-7-9(5-6-15-7)14(2)10(13-11)12-8-3-4-8/h7-9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyGDZIQKVYIKDVKG-UHFFFAOYSA-N
XLogP0.08
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine?
The IUPAC name of 3-amino-2-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine (CID 104887872) is 3-amino-2-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine.
What is the SMILES notation for 3-amino-2-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine?
The canonical SMILES for 3-amino-2-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine is CC1OCCC1N(C)/C(=N/C1CC1)NN.
What is the InChIKey of 3-amino-2-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine?
The InChIKey is GDZIQKVYIKDVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-7-9(5-6-15-7)14(2)10(13-11)12-8-3-4-8/h7-9H,3-6,11H2,1-2H3,(H,12,13).
What are the key properties of 3-amino-2-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine?
3-amino-2-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine has a molecular weight of 212.30 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine is sourced from PubChem (CID 104887872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).