3-ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine

C12H24FN3 — CID 109498332

IUPAC3-ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\CCCF)NCC
InChIInChI=1S/C12H24FN3/c1-4-6-7-11-16(3)12(14-5-2)15-10-8-9-13/h4H,1,5-11H2,2-3H3,(H,14,15)
InChIKeyWJLYREJJEGAGIY-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.21
Rot. Bonds8

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

3-ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine (PubChem CID 109498332) has the molecular formula C12H24FN3 and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine.

Molecular Properties

Compound Name3-ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine
PubChem CID109498332
Molecular FormulaC12H24FN3
Molecular Weight229.34 g/mol
Exact Mass229.20
IUPAC Name3-ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\CCCF)NCC
InChIInChI=1S/C12H24FN3/c1-4-6-7-11-16(3)12(14-5-2)15-10-8-9-13/h4H,1,5-11H2,2-3H3,(H,14,15)
InChIKeyWJLYREJJEGAGIY-UHFFFAOYSA-N
XLogP2.21
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

Analyze 3-ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Aminobutyl)-3-but-3-en-1-ylguanidine
CID 137234568
2-ethyl-1-[(3R)-3-fluorohex-5-en-2-yl]guanidine
CID 146490883
6-fluoro-2-N,4-N,4-N,6-tetrakis(prop-2-enyl)-1H-1,3,5-triazine-2,4-diamine
CID 176530661
1-Hept-6-enyl-1,2-dimethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109483544
1-Hept-6-enyl-1,2-dimethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109483545
2-(2,2-Difluoroethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109483559
3-(2,2-Difluoroethyl)-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483769
3-Ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine
CID 109484011
1-Hept-6-enyl-1,2-dimethyl-3-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 109484214
1-Hept-6-enyl-1,2-dimethyl-3-(5,5,5-trifluoropentyl)guanidine
CID 109484215
3-(3-Fluoropropyl)-1-hept-6-enyl-1,2-dimethylguanidine
CID 109484401
3-Ethyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-pent-4-enylguanidine;hydroiodide
CID 109496040

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine?
The IUPAC name of 3-ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine (CID 109498332) is 3-ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine.
What is the SMILES notation for 3-ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine?
The canonical SMILES for 3-ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N\CCCF)NCC.
What is the InChIKey of 3-ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine?
The InChIKey is WJLYREJJEGAGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN3/c1-4-6-7-11-16(3)12(14-5-2)15-10-8-9-13/h4H,1,5-11H2,2-3H3,(H,14,15).
What are the key properties of 3-ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine?
3-ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine has a molecular weight of 229.34 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine is sourced from PubChem (CID 109498332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).