3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine

C18H26FN3 — CID 109497350

IUPAC3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCC1(c2ccccc2F)CC1
InChIInChI=1S/C18H26FN3/c1-4-5-8-13-22(3)17(20-2)21-14-18(11-12-18)15-9-6-7-10-16(15)19/h4,6-7,9-10H,1,5,8,11-14H2,2-3H3,(H,20,21)
InChIKeyGUZNAXKVWPZVGB-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.33
Rot. Bonds7

About 3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine

3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine (PubChem CID 109497350) has the molecular formula C18H26FN3 and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine.

Molecular Properties

Compound Name3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine
PubChem CID109497350
Molecular FormulaC18H26FN3
Molecular Weight303.43 g/mol
Exact Mass303.21
IUPAC Name3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCC1(c2ccccc2F)CC1
InChIInChI=1S/C18H26FN3/c1-4-5-8-13-22(3)17(20-2)21-14-18(11-12-18)15-9-6-7-10-16(15)19/h4,6-7,9-10H,1,5,8,11-14H2,2-3H3,(H,20,21)
InChIKeyGUZNAXKVWPZVGB-UHFFFAOYSA-N
XLogP3.33
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.33
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

1,2-dimethyl-1-pent-4-enyl-3-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]guanidine;hydroiodide
CID 109498393
3-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109499293
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2,3-dimethylguanidine
CID 86777752
3-[(2,5-difluorophenyl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109498230
3-[(4-fluoro-3-methylphenyl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109498652
1,2-dimethyl-3-[(3-methyloxetan-3-yl)methyl]-1-pent-4-enylguanidine;hydroiodide
CID 109499141
3-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methyl-1-pent-4-enylguanidine
CID 109498544
3-[2-(1H-indol-3-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109496534
2-chloro-N-[2-[(N,N'-dimethyl-N-pent-4-enylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide
CID 109497231
3-[2-(2,4-difluorophenyl)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109499525
3-[3-(4-fluorophenoxy)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109498917
3-[2-(benzenesulfonamido)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109496464

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The IUPAC name of 3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine (CID 109497350) is 3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine.
What is the SMILES notation for 3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The canonical SMILES for 3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N\C)NCC1(c2ccccc2F)CC1.
What is the InChIKey of 3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The InChIKey is GUZNAXKVWPZVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3/c1-4-5-8-13-22(3)17(20-2)21-14-18(11-12-18)15-9-6-7-10-16(15)19/h4,6-7,9-10H,1,5,8,11-14H2,2-3H3,(H,20,21).
What are the key properties of 3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine?
3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine has a molecular weight of 303.43 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine is sourced from PubChem (CID 109497350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).