2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine

C14H30N4 — CID 136925526

IUPAC2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CCCCN(CC)CC)NCC
InChIInChI=1S/C14H30N4/c1-5-11-16-14(15-6-2)17-12-9-10-13-18(7-3)8-4/h5H,1,6-13H2,2-4H3,(H2,15,16,17)
InChIKeyZEUKCCDFBHFCTB-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.85
Rot. Bonds10

About 2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine

2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine (PubChem CID 136925526) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine
PubChem CID136925526
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CCCCN(CC)CC)NCC
InChIInChI=1S/C14H30N4/c1-5-11-16-14(15-6-2)17-12-9-10-13-18(7-3)8-4/h5H,1,6-13H2,2-4H3,(H2,15,16,17)
InChIKeyZEUKCCDFBHFCTB-UHFFFAOYSA-N
XLogP1.85
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.85
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-[4-(diethylamino)butyl]-1-prop-2-enylguanidine
CID 136700136
2-[4-(diethylamino)butyl]-1-ethyl-3-(2-methylsulfanylethyl)guanidine
CID 111345889
3-[[N'-[4-(diethylamino)butyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide
CID 111942097
methyl 7-[[ethylamino-(prop-2-enylamino)methylidene]amino]heptanoate;hydroiodide
CID 136926037
2-(2-butoxyethyl)-1-ethyl-3-prop-2-enylguanidine
CID 136926090
2-(3,3-dimethylbutyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 136925989
2-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 110941028
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine
CID 136925838
2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 136924566
2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine
CID 111230209
2-[3-[4-(dimethylamino)phenyl]propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 136925979
2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(3-methylbutoxy)ethyl]guanidine;hydroiodide
CID 111971717

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine?
The IUPAC name of 2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine (CID 136925526) is 2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine.
What is the SMILES notation for 2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine?
The canonical SMILES for 2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine is C=CCN/C(=N/CCCCN(CC)CC)NCC.
What is the InChIKey of 2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine?
The InChIKey is ZEUKCCDFBHFCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-5-11-16-14(15-6-2)17-12-9-10-13-18(7-3)8-4/h5H,1,6-13H2,2-4H3,(H2,15,16,17).
What are the key properties of 2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine?
2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine has a molecular weight of 254.42 g/mol, XLogP of 1.85, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine is sourced from PubChem (CID 136925526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).