3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine

C15H32N4 — CID 109495997

IUPAC3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N/C)NCCCN(CC)CC
InChIInChI=1S/C15H32N4/c1-6-9-10-13-18(5)15(16-4)17-12-11-14-19(7-2)8-3/h6H,1,7-14H2,2-5H3,(H,16,17)
InChIKeyKWYGXIUZKVOIFV-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.19
Rot. Bonds10

About 3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine

3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine (PubChem CID 109495997) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine
PubChem CID109495997
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N/C)NCCCN(CC)CC
InChIInChI=1S/C15H32N4/c1-6-9-10-13-18(5)15(16-4)17-12-11-14-19(7-2)8-3/h6H,1,7-14H2,2-5H3,(H,16,17)
InChIKeyKWYGXIUZKVOIFV-UHFFFAOYSA-N
XLogP2.19
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
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-(4-Aminobutyl)-3-but-3-en-1-ylguanidine
CID 137234568
3-Ethyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-pent-4-enylguanidine;hydroiodide
CID 109496040
3-Ethyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-pent-4-enylguanidine
CID 109496041
3-Ethyl-1-methyl-1-pent-4-enyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109496213
1,2-Dimethyl-1-pent-4-enyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109497268
2-(2,2-Difluoroethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine
CID 109497288
3-Ethyl-1-methyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-pent-4-enylguanidine
CID 109497370
3-(2,2-Difluoroethyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109497790
3-Ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine
CID 109498332
1,2-Dimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-pent-4-enylguanidine;hydroiodide
CID 109499005
1,2-Dimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-pent-4-enylguanidine
CID 109499006
3-(3-Fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109499214

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The IUPAC name of 3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine (CID 109495997) is 3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine.
What is the SMILES notation for 3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The canonical SMILES for 3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N/C)NCCCN(CC)CC.
What is the InChIKey of 3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The InChIKey is KWYGXIUZKVOIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-6-9-10-13-18(5)15(16-4)17-12-11-14-19(7-2)8-3/h6H,1,7-14H2,2-5H3,(H,16,17).
What are the key properties of 3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine?
3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine has a molecular weight of 268.45 g/mol, XLogP of 2.19, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl]-1,2-dimethyl-1-pent-4-enylguanidine is sourced from PubChem (CID 109495997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).