1-cyclobutyl-3-(1-cyclopentylpyrrolidin-3-yl)-2-ethylguanidine;hydroiodide

C16H31IN4 — CID 119154000

IUPAC1-cyclobutyl-3-(1-cyclopentylpyrrolidin-3-yl)-2-ethylguanidine;hydroiodide
SMILESCC/N=C(\NC1CCC1)NC1CCN(C2CCCC2)C1.I
InChIInChI=1S/C16H30N4.HI/c1-2-17-16(18-13-6-5-7-13)19-14-10-11-20(12-14)15-8-3-4-9-15;/h13-15H,2-12H2,1H3,(H2,17,18,19);1H
InChIKeyGMIMIWSOVRIPCH-UHFFFAOYSA-N
MW406.36 g/mol
LogP2.73
Rot. Bonds4

About 1-cyclobutyl-3-(1-cyclopentylpyrrolidin-3-yl)-2-ethylguanidine;hydroiodide

1-cyclobutyl-3-(1-cyclopentylpyrrolidin-3-yl)-2-ethylguanidine;hydroiodide (PubChem CID 119154000) has the molecular formula C16H31IN4 and a molecular weight of 406.36 g/mol. Its IUPAC name is 1-cyclobutyl-3-(1-cyclopentylpyrrolidin-3-yl)-2-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclobutyl-3-(1-cyclopentylpyrrolidin-3-yl)-2-ethylguanidine;hydroiodide
PubChem CID119154000
Molecular FormulaC16H31IN4
Molecular Weight406.36 g/mol
Exact Mass406.16
IUPAC Name1-cyclobutyl-3-(1-cyclopentylpyrrolidin-3-yl)-2-ethylguanidine;hydroiodide
SMILESCC/N=C(\NC1CCC1)NC1CCN(C2CCCC2)C1.I
InChIInChI=1S/C16H30N4.HI/c1-2-17-16(18-13-6-5-7-13)19-14-10-11-20(12-14)15-8-3-4-9-15;/h13-15H,2-12H2,1H3,(H2,17,18,19);1H
InChIKeyGMIMIWSOVRIPCH-UHFFFAOYSA-N
XLogP2.73
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-(1-cyclopropylpyrrolidin-3-yl)-3-(2,2-dimethylcyclopropyl)-2-ethylguanidine;hydroiodide
CID 119150158
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
CID 119153886
N-cyclohexyl-2-[[[(1-cyclopentylpyrrolidin-3-yl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111919002
1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine
CID 119125154
1-(1-cyclopentylpyrrolidin-3-yl)-2-ethyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine;hydroiodide
CID 109405640
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111920186
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111919980
1-(cyclopentylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 119150585
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-methoxyethyl)guanidine
CID 111919981
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111919018
N-cyclohexyl-3-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111919824
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-ethylsulfonylethyl)guanidine
CID 111919567

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(1-cyclopentylpyrrolidin-3-yl)-2-ethylguanidine;hydroiodide?
The IUPAC name of 1-cyclobutyl-3-(1-cyclopentylpyrrolidin-3-yl)-2-ethylguanidine;hydroiodide (CID 119154000) is 1-cyclobutyl-3-(1-cyclopentylpyrrolidin-3-yl)-2-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclobutyl-3-(1-cyclopentylpyrrolidin-3-yl)-2-ethylguanidine;hydroiodide?
The canonical SMILES for 1-cyclobutyl-3-(1-cyclopentylpyrrolidin-3-yl)-2-ethylguanidine;hydroiodide is CC/N=C(\NC1CCC1)NC1CCN(C2CCCC2)C1.I.
What is the InChIKey of 1-cyclobutyl-3-(1-cyclopentylpyrrolidin-3-yl)-2-ethylguanidine;hydroiodide?
The InChIKey is GMIMIWSOVRIPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4.HI/c1-2-17-16(18-13-6-5-7-13)19-14-10-11-20(12-14)15-8-3-4-9-15;/h13-15H,2-12H2,1H3,(H2,17,18,19);1H.
What are the key properties of 1-cyclobutyl-3-(1-cyclopentylpyrrolidin-3-yl)-2-ethylguanidine;hydroiodide?
1-cyclobutyl-3-(1-cyclopentylpyrrolidin-3-yl)-2-ethylguanidine;hydroiodide has a molecular weight of 406.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(1-cyclopentylpyrrolidin-3-yl)-2-ethylguanidine;hydroiodide is sourced from PubChem (CID 119154000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).