1-(4-cyclopentylbutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide

C18H31IN4 — CID 111608965

IUPAC1-(4-cyclopentylbutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCCCC1CCCC1)NCCc1cccnc1.I
InChIInChI=1S/C18H30N4.HI/c1-19-18(22-14-11-17-10-6-12-20-15-17)21-13-5-4-9-16-7-2-3-8-16;/h6,10,12,15-16H,2-5,7-9,11,13-14H2,1H3,(H2,19,21,22);1H
InChIKeyCPCSVKQOIZFYRT-UHFFFAOYSA-N
MW430.38 g/mol
LogP3.77
Rot. Bonds8

About 1-(4-cyclopentylbutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide

1-(4-cyclopentylbutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide (PubChem CID 111608965) has the molecular formula C18H31IN4 and a molecular weight of 430.38 g/mol. Its IUPAC name is 1-(4-cyclopentylbutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-cyclopentylbutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
PubChem CID111608965
Molecular FormulaC18H31IN4
Molecular Weight430.38 g/mol
Exact Mass430.16
IUPAC Name1-(4-cyclopentylbutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCCCC1CCCC1)NCCc1cccnc1.I
InChIInChI=1S/C18H30N4.HI/c1-19-18(22-14-11-17-10-6-12-20-15-17)21-13-5-4-9-16-7-2-3-8-16;/h6,10,12,15-16H,2-5,7-9,11,13-14H2,1H3,(H2,19,21,22);1H
InChIKeyCPCSVKQOIZFYRT-UHFFFAOYSA-N
XLogP3.77
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 110959230
2-[[N-(4-cyclopentylbutyl)-N'-methylcarbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111608771
2-methyl-1-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine
CID 111199624
N-(4-cyclopentylbutyl)-2-pyridin-3-ylacetamide
CID 71993774
1-(3-cyclohexylpropyl)-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109407170
2-methyl-1-(2-pyridin-3-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111295732
1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111607472
1-(2-ethylbutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111891206
1-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111248196
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111361148
N-[4-[2-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111947212
1-[3-(N-ethylanilino)propyl]-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111389820

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylbutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-(4-cyclopentylbutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide (CID 111608965) is 1-(4-cyclopentylbutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(4-cyclopentylbutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(4-cyclopentylbutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide is C/N=C(\NCCCCC1CCCC1)NCCc1cccnc1.I.
What is the InChIKey of 1-(4-cyclopentylbutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide?
The InChIKey is CPCSVKQOIZFYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4.HI/c1-19-18(22-14-11-17-10-6-12-20-15-17)21-13-5-4-9-16-7-2-3-8-16;/h6,10,12,15-16H,2-5,7-9,11,13-14H2,1H3,(H2,19,21,22);1H.
What are the key properties of 1-(4-cyclopentylbutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide?
1-(4-cyclopentylbutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide has a molecular weight of 430.38 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylbutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111608965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).