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

C9H19N3O — CID 62362444

IUPAC1-ethyl-2-[2-(oxolan-2-yl)ethyl]guanidine
SMILESCCN/C(N)=N/CCC1CCCO1
InChIInChI=1S/C9H19N3O/c1-2-11-9(10)12-6-5-8-4-3-7-13-8/h8H,2-7H2,1H3,(H3,10,11,12)
InChIKeyKDGCUFTZRWAGIH-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.48
Rot. Bonds4

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

1-ethyl-2-[2-(oxolan-2-yl)ethyl]guanidine (PubChem CID 62362444) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-ethyl-2-[2-(oxolan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(oxolan-2-yl)ethyl]guanidine
PubChem CID62362444
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-ethyl-2-[2-(oxolan-2-yl)ethyl]guanidine
SMILESCCN/C(N)=N/CCC1CCCO1
InChIInChI=1S/C9H19N3O/c1-2-11-9(10)12-6-5-8-4-3-7-13-8/h8H,2-7H2,1H3,(H3,10,11,12)
InChIKeyKDGCUFTZRWAGIH-UHFFFAOYSA-N
XLogP0.48
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.48
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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Related Compounds

1-Ethyl-2-[2-(oxolan-2-yl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 112000280
1-Ethyl-2-[2-(oxolan-2-yl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 112000281
1-(Diaminomethylidene)-3-ethyl-2-(6-methoxyhexyl)guanidine;hydrochloride
CID 21534110
1-(3-Hexoxypropyl)-2-methylguanidine
CID 23103985
1-(3-Heptan-4-yloxypropyl)-2-methylguanidine
CID 171793662
1-(Diaminomethylidene)-3-ethyl-2-(6-methoxyhexyl)guanidine
CID 21534111
1-Cyclopropyl-2-(3-ethoxypropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 56801543
1-Cyclopropyl-2-(3-ethoxypropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine
CID 56801544
2-Methyl-1-[2-(oxolan-2-yl)ethyl]guanidine
CID 62359897
1-[2-(Oxolan-2-yl)ethyl]-2-propylguanidine
CID 62362662
2-[2-(Oxolan-2-yl)ethyl]-1-propan-2-ylguanidine
CID 62362663
1-Cyclopropyl-2-[2-(oxolan-2-yl)ethyl]guanidine
CID 62362664

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(oxolan-2-yl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(oxolan-2-yl)ethyl]guanidine (CID 62362444) is 1-ethyl-2-[2-(oxolan-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(oxolan-2-yl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(oxolan-2-yl)ethyl]guanidine is CCN/C(N)=N/CCC1CCCO1.
What is the InChIKey of 1-ethyl-2-[2-(oxolan-2-yl)ethyl]guanidine?
The InChIKey is KDGCUFTZRWAGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-11-9(10)12-6-5-8-4-3-7-13-8/h8H,2-7H2,1H3,(H3,10,11,12).
What are the key properties of 1-ethyl-2-[2-(oxolan-2-yl)ethyl]guanidine?
1-ethyl-2-[2-(oxolan-2-yl)ethyl]guanidine has a molecular weight of 185.27 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(oxolan-2-yl)ethyl]guanidine is sourced from PubChem (CID 62362444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).