1-cyclopropyl-2-[2-(oxolan-2-yl)ethyl]guanidine

C10H19N3O — CID 62362664

IUPAC1-cyclopropyl-2-[2-(oxolan-2-yl)ethyl]guanidine
SMILESN/C(=N\CCC1CCCO1)NC1CC1
InChIInChI=1S/C10H19N3O/c11-10(13-8-3-4-8)12-6-5-9-2-1-7-14-9/h8-9H,1-7H2,(H3,11,12,13)
InChIKeyFYVZVLZWZFZOKL-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.62
Rot. Bonds4

About 1-cyclopropyl-2-[2-(oxolan-2-yl)ethyl]guanidine

1-cyclopropyl-2-[2-(oxolan-2-yl)ethyl]guanidine (PubChem CID 62362664) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(oxolan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(oxolan-2-yl)ethyl]guanidine
PubChem CID62362664
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-cyclopropyl-2-[2-(oxolan-2-yl)ethyl]guanidine
SMILESN/C(=N\CCC1CCCO1)NC1CC1
InChIInChI=1S/C10H19N3O/c11-10(13-8-3-4-8)12-6-5-9-2-1-7-14-9/h8-9H,1-7H2,(H3,11,12,13)
InChIKeyFYVZVLZWZFZOKL-UHFFFAOYSA-N
XLogP0.62
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.62
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 1-cyclopropyl-2-[2-(oxolan-2-yl)ethyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[2-(oxolan-2-yl)ethyl]guanidine (CID 62362664) is 1-cyclopropyl-2-[2-(oxolan-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[2-(oxolan-2-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[2-(oxolan-2-yl)ethyl]guanidine is N/C(=N\CCC1CCCO1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[2-(oxolan-2-yl)ethyl]guanidine?
The InChIKey is FYVZVLZWZFZOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c11-10(13-8-3-4-8)12-6-5-9-2-1-7-14-9/h8-9H,1-7H2,(H3,11,12,13).
What are the key properties of 1-cyclopropyl-2-[2-(oxolan-2-yl)ethyl]guanidine?
1-cyclopropyl-2-[2-(oxolan-2-yl)ethyl]guanidine has a molecular weight of 197.28 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(oxolan-2-yl)ethyl]guanidine is sourced from PubChem (CID 62362664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).