3-ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine

C14H28FN3 — CID 109484011

IUPAC3-ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine
SMILESC=CCCCCCN(C)/C(=N\CCCF)NCC
InChIInChI=1S/C14H28FN3/c1-4-6-7-8-9-13-18(3)14(16-5-2)17-12-10-11-15/h4H,1,5-13H2,2-3H3,(H,16,17)
InChIKeyDJPSYTVAXUDELV-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.99
Rot. Bonds10

About 3-ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine

3-ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine (PubChem CID 109484011) has the molecular formula C14H28FN3 and a molecular weight of 257.40 g/mol. Its IUPAC name is 3-ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine.

Molecular Properties

Compound Name3-ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine
PubChem CID109484011
Molecular FormulaC14H28FN3
Molecular Weight257.40 g/mol
Exact Mass257.23
IUPAC Name3-ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine
SMILESC=CCCCCCN(C)/C(=N\CCCF)NCC
InChIInChI=1S/C14H28FN3/c1-4-6-7-8-9-13-18(3)14(16-5-2)17-12-10-11-15/h4H,1,5-13H2,2-3H3,(H,16,17)
InChIKeyDJPSYTVAXUDELV-UHFFFAOYSA-N
XLogP2.99
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.99
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-hept-6-enyl-1-methylguanidine 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

2-ethyl-1-[(3R)-3-fluorohex-5-en-2-yl]guanidine
CID 146490883
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
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
1-Hept-6-enyl-1,2-dimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 109484300
1-Hept-6-enyl-1,2-dimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 109484301
3-(3-Fluoropropyl)-1-hept-6-enyl-1,2-dimethylguanidine
CID 109484401
1-Hept-6-enyl-1,2-dimethyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 109484563
1-Hept-6-enyl-1,2-dimethyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 109484564

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine?
The IUPAC name of 3-ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine (CID 109484011) is 3-ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine.
What is the SMILES notation for 3-ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine?
The canonical SMILES for 3-ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine is C=CCCCCCN(C)/C(=N\CCCF)NCC.
What is the InChIKey of 3-ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine?
The InChIKey is DJPSYTVAXUDELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FN3/c1-4-6-7-8-9-13-18(3)14(16-5-2)17-12-10-11-15/h4H,1,5-13H2,2-3H3,(H,16,17).
What are the key properties of 3-ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine?
3-ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine has a molecular weight of 257.40 g/mol, XLogP of 2.99, 10 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-hept-6-enyl-1-methylguanidine is sourced from PubChem (CID 109484011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).