1-(cyclobutylmethyl)-2-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide

C17H25FIN3 — CID 111091583

IUPAC1-(cyclobutylmethyl)-2-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1(c2ccc(F)cc2)CCC1)NCC1CCC1
InChIInChI=1S/C17H24FN3.HI/c18-15-7-5-14(6-8-15)17(9-2-10-17)12-21-16(19)20-11-13-3-1-4-13;/h5-8,13H,1-4,9-12H2,(H3,19,20,21);1H
InChIKeyKAHHABSVUCPKAR-UHFFFAOYSA-N
MW417.31 g/mol
LogP3.57
Rot. Bonds5

About 1-(cyclobutylmethyl)-2-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide

1-(cyclobutylmethyl)-2-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide (PubChem CID 111091583) has the molecular formula C17H25FIN3 and a molecular weight of 417.31 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide
PubChem CID111091583
Molecular FormulaC17H25FIN3
Molecular Weight417.31 g/mol
Exact Mass417.11
IUPAC Name1-(cyclobutylmethyl)-2-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1(c2ccc(F)cc2)CCC1)NCC1CCC1
InChIInChI=1S/C17H24FN3.HI/c18-15-7-5-14(6-8-15)17(9-2-10-17)12-21-16(19)20-11-13-3-1-4-13;/h5-8,13H,1-4,9-12H2,(H3,19,20,21);1H
InChIKeyKAHHABSVUCPKAR-UHFFFAOYSA-N
XLogP3.57
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111091549
1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine
CID 111025727
1-(cyclobutylmethyl)-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]guanidine
CID 111807364
1-(cyclopropylmethyl)-3-ethyl-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]guanidine
CID 111869798
1-(cyclobutylmethyl)-2-[(1-methoxycyclobutyl)methyl]guanidine;hydroiodide
CID 110017961
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111091599
1-(cyclopropylmethyl)-3-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylguanidine
CID 111868214
2-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111068051
1-(cyclobutylmethyl)-2-[[1-(difluoromethyl)cyclopropyl]methyl]guanidine
CID 120662388
1-(cyclobutylmethyl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine
CID 111082633
1-(cyclobutylmethyl)-2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]guanidine;hydroiodide
CID 111081399
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111091582

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-(cyclobutylmethyl)-2-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide (CID 111091583) is 1-(cyclobutylmethyl)-2-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide is I.N/C(=N\CC1(c2ccc(F)cc2)CCC1)NCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide?
The InChIKey is KAHHABSVUCPKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3.HI/c18-15-7-5-14(6-8-15)17(9-2-10-17)12-21-16(19)20-11-13-3-1-4-13;/h5-8,13H,1-4,9-12H2,(H3,19,20,21);1H.
What are the key properties of 1-(cyclobutylmethyl)-2-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide?
1-(cyclobutylmethyl)-2-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide has a molecular weight of 417.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111091583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).