3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine

C15H30N4O — CID 109498498

IUPAC3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N/CCN1CCOCC1)NCC
InChIInChI=1S/C15H30N4O/c1-4-6-7-9-18(3)15(16-5-2)17-8-10-19-11-13-20-14-12-19/h4H,1,5-14H2,2-3H3,(H,16,17)
InChIKeyDOVIZUJBKKHODC-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.18
Rot. Bonds8

About 3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine

3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine (PubChem CID 109498498) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine.

Molecular Properties

Compound Name3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine
PubChem CID109498498
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N/CCN1CCOCC1)NCC
InChIInChI=1S/C15H30N4O/c1-4-6-7-9-18(3)15(16-5-2)17-8-10-19-11-13-20-14-12-19/h4H,1,5-14H2,2-3H3,(H,16,17)
InChIKeyDOVIZUJBKKHODC-UHFFFAOYSA-N
XLogP1.18
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine?
The IUPAC name of 3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine (CID 109498498) is 3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine.
What is the SMILES notation for 3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine?
The canonical SMILES for 3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N/CCN1CCOCC1)NCC.
What is the InChIKey of 3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine?
The InChIKey is DOVIZUJBKKHODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-4-6-7-9-18(3)15(16-5-2)17-8-10-19-11-13-20-14-12-19/h4H,1,5-14H2,2-3H3,(H,16,17).
What are the key properties of 3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine?
3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine has a molecular weight of 282.43 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-pent-4-enylguanidine is sourced from PubChem (CID 109498498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).