1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine

C12H24N4 — CID 119125154

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine
SMILESC/N=C(\NC)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C12H24N4/c1-13-12(14-2)15-10-7-8-16(9-10)11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H2,13,14,15)
InChIKeyOVAZEAFLCXAFOR-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.80
Rot. Bonds2

About 1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine

1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine (PubChem CID 119125154) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine
PubChem CID119125154
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine
SMILESC/N=C(\NC)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C12H24N4/c1-13-12(14-2)15-10-7-8-16(9-10)11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H2,13,14,15)
InChIKeyOVAZEAFLCXAFOR-UHFFFAOYSA-N
XLogP0.80
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.80
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'}

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Related Compounds

1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
CID 119153886
1-(cyclopentylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 119150585
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111918596
1-cyclobutyl-3-(1-cyclopentylpyrrolidin-3-yl)-2-ethylguanidine;hydroiodide
CID 119154000
2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide
CID 119150604
N-[2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111919867
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(thian-4-ylmethyl)guanidine;hydroiodide
CID 119158534
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide
CID 119154002
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111919902
1-(cyclohex-3-en-1-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
CID 119150662
2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119150643
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 119150649

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine (CID 119125154) is 1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine is C/N=C(\NC)NC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine?
The InChIKey is OVAZEAFLCXAFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-13-12(14-2)15-10-7-8-16(9-10)11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine?
1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine has a molecular weight of 224.35 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine is sourced from PubChem (CID 119125154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).