2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine

C11H23N3O — CID 136925660

IUPAC2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CCCOCC)NCC
InChIInChI=1S/C11H23N3O/c1-4-8-13-11(12-5-2)14-9-7-10-15-6-3/h4H,1,5-10H2,2-3H3,(H2,12,13,14)
InChIKeyHPDYSMPIBQJLRA-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.15
Rot. Bonds8

About 2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine

2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine (PubChem CID 136925660) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine
PubChem CID136925660
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CCCOCC)NCC
InChIInChI=1S/C11H23N3O/c1-4-8-13-11(12-5-2)14-9-7-10-15-6-3/h4H,1,5-10H2,2-3H3,(H2,12,13,14)
InChIKeyHPDYSMPIBQJLRA-UHFFFAOYSA-N
XLogP1.15
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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

2-Methyl-1-prop-2-enyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 110980292
2-Methyl-1-prop-2-enyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 110980293
1-Prop-2-enyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 136700093
1-Prop-2-enyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 136700094
1-Ethyl-3-prop-2-enyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 136925491
1-Ethyl-3-prop-2-enyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 136925492
N'-[3-(2-methoxyethoxy)propyl]-N-prop-2-enylmethanimidamide
CID 137100325
2-(2-But-3-enoxyethyl)-1-ethylguanidine
CID 103852806
3-(3-Ethoxypropyl)-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109497093
3-(3-Ethoxypropyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109497094
3-(3-Methoxypropyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109498064
3-Ethyl-2-(3-methoxypropyl)-1-methyl-1-pent-4-enylguanidine
CID 109498492

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine?
The IUPAC name of 2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine (CID 136925660) is 2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine.
What is the SMILES notation for 2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine?
The canonical SMILES for 2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine is C=CCN/C(=N/CCCOCC)NCC.
What is the InChIKey of 2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine?
The InChIKey is HPDYSMPIBQJLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-8-13-11(12-5-2)14-9-7-10-15-6-3/h4H,1,5-10H2,2-3H3,(H2,12,13,14).
What are the key properties of 2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine?
2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine has a molecular weight of 213.32 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-1-ethyl-3-prop-2-enylguanidine is sourced from PubChem (CID 136925660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).