1-[2-(oxolan-2-yl)ethyl]-2-propylguanidine

C10H21N3O — CID 62362662

IUPAC1-[2-(oxolan-2-yl)ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCC1CCCO1
InChIInChI=1S/C10H21N3O/c1-2-6-12-10(11)13-7-5-9-4-3-8-14-9/h9H,2-8H2,1H3,(H3,11,12,13)
InChIKeyCKCXHAANKDGFKF-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.87
Rot. Bonds5

About 1-[2-(oxolan-2-yl)ethyl]-2-propylguanidine

1-[2-(oxolan-2-yl)ethyl]-2-propylguanidine (PubChem CID 62362662) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethyl]-2-propylguanidine
PubChem CID62362662
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-[2-(oxolan-2-yl)ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCC1CCCO1
InChIInChI=1S/C10H21N3O/c1-2-6-12-10(11)13-7-5-9-4-3-8-14-9/h9H,2-8H2,1H3,(H3,11,12,13)
InChIKeyCKCXHAANKDGFKF-UHFFFAOYSA-N
XLogP0.87
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.87
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-[2-(oxolan-2-yl)ethyl]-2-propylguanidine?
The IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-2-propylguanidine (CID 62362662) is 1-[2-(oxolan-2-yl)ethyl]-2-propylguanidine.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethyl]-2-propylguanidine?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethyl]-2-propylguanidine is CCC/N=C(\N)NCCC1CCCO1.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethyl]-2-propylguanidine?
The InChIKey is CKCXHAANKDGFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-6-12-10(11)13-7-5-9-4-3-8-14-9/h9H,2-8H2,1H3,(H3,11,12,13).
What are the key properties of 1-[2-(oxolan-2-yl)ethyl]-2-propylguanidine?
1-[2-(oxolan-2-yl)ethyl]-2-propylguanidine has a molecular weight of 199.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)ethyl]-2-propylguanidine is sourced from PubChem (CID 62362662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).