3-(3-fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine

C11H22FN3 — CID 109499214

IUPAC3-(3-fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N/C)NCCCF
InChIInChI=1S/C11H22FN3/c1-4-5-6-10-15(3)11(13-2)14-9-7-8-12/h4H,1,5-10H2,2-3H3,(H,13,14)
InChIKeyQWSZKCYRRWWAKH-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.82
Rot. Bonds7

About 3-(3-fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine

3-(3-fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine (PubChem CID 109499214) has the molecular formula C11H22FN3 and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-(3-fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine.

Molecular Properties

Compound Name3-(3-fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine
PubChem CID109499214
Molecular FormulaC11H22FN3
Molecular Weight215.32 g/mol
Exact Mass215.18
IUPAC Name3-(3-fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N/C)NCCCF
InChIInChI=1S/C11H22FN3/c1-4-5-6-10-15(3)11(13-2)14-9-7-8-12/h4H,1,5-10H2,2-3H3,(H,13,14)
InChIKeyQWSZKCYRRWWAKH-UHFFFAOYSA-N
XLogP1.82
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.82
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'}

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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-(3-fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine?
The IUPAC name of 3-(3-fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine (CID 109499214) is 3-(3-fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine.
What is the SMILES notation for 3-(3-fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine?
The canonical SMILES for 3-(3-fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N/C)NCCCF.
What is the InChIKey of 3-(3-fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine?
The InChIKey is QWSZKCYRRWWAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN3/c1-4-5-6-10-15(3)11(13-2)14-9-7-8-12/h4H,1,5-10H2,2-3H3,(H,13,14).
What are the key properties of 3-(3-fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine?
3-(3-fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine has a molecular weight of 215.32 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine is sourced from PubChem (CID 109499214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).