1-ethyl-2-(2-methoxyethyl)-3-pent-3-enylguanidine

C11H23N3O — CID 111587817

IUPAC1-ethyl-2-(2-methoxyethyl)-3-pent-3-enylguanidine
SMILESCC=CCCN/C(=N/CCOC)NCC
InChIInChI=1S/C11H23N3O/c1-4-6-7-8-13-11(12-5-2)14-9-10-15-3/h4,6H,5,7-10H2,1-3H3,(H2,12,13,14)
InChIKeyUXAKHUYIYRQPPT-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.15
Rot. Bonds7

About 1-ethyl-2-(2-methoxyethyl)-3-pent-3-enylguanidine

1-ethyl-2-(2-methoxyethyl)-3-pent-3-enylguanidine (PubChem CID 111587817) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-ethyl-2-(2-methoxyethyl)-3-pent-3-enylguanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methoxyethyl)-3-pent-3-enylguanidine
PubChem CID111587817
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-ethyl-2-(2-methoxyethyl)-3-pent-3-enylguanidine
SMILESCC=CCCN/C(=N/CCOC)NCC
InChIInChI=1S/C11H23N3O/c1-4-6-7-8-13-11(12-5-2)14-9-10-15-3/h4,6H,5,7-10H2,1-3H3,(H2,12,13,14)
InChIKeyUXAKHUYIYRQPPT-UHFFFAOYSA-N
XLogP1.15
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.15
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

1-ethyl-2,3-bis(2-methoxyethyl)guanidine
CID 110940924
2-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-3-[(E)-pent-3-enyl]guanidine
CID 111587845
1-ethyl-2-(2-methoxyethyl)-3-(2-methylsulfanylethyl)guanidine
CID 110941554
1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide
CID 110965781
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-pent-3-enylguanidine
CID 111587673
propan-2-yl 3-[[N-ethyl-N'-(2-methoxyethyl)carbamimidoyl]amino]propanoate
CID 110941130
1-ethyl-3-pent-3-enyl-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111587648
1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-[(E)-pent-3-enyl]guanidine
CID 111587799
1-ethyl-2-(2-methoxyethyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 110941086
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111404627
1-ethyl-3-(2-methoxyethyl)-2-(3-methylsulfonylpropyl)guanidine
CID 110941656
1-ethyl-2-[(2-methylphenyl)methyl]-3-[(E)-pent-3-enyl]guanidine
CID 111587867

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methoxyethyl)-3-pent-3-enylguanidine?
The IUPAC name of 1-ethyl-2-(2-methoxyethyl)-3-pent-3-enylguanidine (CID 111587817) is 1-ethyl-2-(2-methoxyethyl)-3-pent-3-enylguanidine.
What is the SMILES notation for 1-ethyl-2-(2-methoxyethyl)-3-pent-3-enylguanidine?
The canonical SMILES for 1-ethyl-2-(2-methoxyethyl)-3-pent-3-enylguanidine is CC=CCCN/C(=N/CCOC)NCC.
What is the InChIKey of 1-ethyl-2-(2-methoxyethyl)-3-pent-3-enylguanidine?
The InChIKey is UXAKHUYIYRQPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-6-7-8-13-11(12-5-2)14-9-10-15-3/h4,6H,5,7-10H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-ethyl-2-(2-methoxyethyl)-3-pent-3-enylguanidine?
1-ethyl-2-(2-methoxyethyl)-3-pent-3-enylguanidine has a molecular weight of 213.32 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methoxyethyl)-3-pent-3-enylguanidine is sourced from PubChem (CID 111587817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).