2-(2-but-3-enoxyethyl)-1-ethylguanidine

C9H19N3O — CID 103852806

IUPAC2-(2-but-3-enoxyethyl)-1-ethylguanidine
SMILESC=CCCOCC/N=C(\N)NCC
InChIInChI=1S/C9H19N3O/c1-3-5-7-13-8-6-12-9(10)11-4-2/h3H,1,4-8H2,2H3,(H3,10,11,12)
InChIKeyIHQGTCLMKZAWPB-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.50
Rot. Bonds7

About 2-(2-but-3-enoxyethyl)-1-ethylguanidine

2-(2-but-3-enoxyethyl)-1-ethylguanidine (PubChem CID 103852806) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(2-but-3-enoxyethyl)-1-ethylguanidine.

Molecular Properties

Compound Name2-(2-but-3-enoxyethyl)-1-ethylguanidine
PubChem CID103852806
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-(2-but-3-enoxyethyl)-1-ethylguanidine
SMILESC=CCCOCC/N=C(\N)NCC
InChIInChI=1S/C9H19N3O/c1-3-5-7-13-8-6-12-9(10)11-4-2/h3H,1,4-8H2,2H3,(H3,10,11,12)
InChIKeyIHQGTCLMKZAWPB-UHFFFAOYSA-N
XLogP0.50
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-but-3-enoxyethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 103852680
2-(2-But-3-enoxyethyl)-1-cyclopropylguanidine
CID 103852683
1-(2-But-3-enoxyethyl)-2-methylguanidine
CID 103852686
1-(2-But-3-enoxyethyl)-2-(2-methylpropyl)guanidine
CID 103852804
1-(2-But-3-enoxyethyl)-2-propylguanidine
CID 103852805
2-(2-But-3-enoxyethyl)-1-tert-butylguanidine
CID 103852807
2-(2-But-3-enoxyethyl)-1-propan-2-ylguanidine
CID 103852808
3-(2-Butoxyethyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109496179
2-(2-Ethoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109496192
2-(2-Ethoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine
CID 109496193
3-(2-Methoxyethyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109496522
2-(2-Butoxyethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine
CID 109497240

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-3-enoxyethyl)-1-ethylguanidine?
The IUPAC name of 2-(2-but-3-enoxyethyl)-1-ethylguanidine (CID 103852806) is 2-(2-but-3-enoxyethyl)-1-ethylguanidine.
What is the SMILES notation for 2-(2-but-3-enoxyethyl)-1-ethylguanidine?
The canonical SMILES for 2-(2-but-3-enoxyethyl)-1-ethylguanidine is C=CCCOCC/N=C(\N)NCC.
What is the InChIKey of 2-(2-but-3-enoxyethyl)-1-ethylguanidine?
The InChIKey is IHQGTCLMKZAWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-5-7-13-8-6-12-9(10)11-4-2/h3H,1,4-8H2,2H3,(H3,10,11,12).
What are the key properties of 2-(2-but-3-enoxyethyl)-1-ethylguanidine?
2-(2-but-3-enoxyethyl)-1-ethylguanidine has a molecular weight of 185.27 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-3-enoxyethyl)-1-ethylguanidine is sourced from PubChem (CID 103852806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).