1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine

C12H21N5 — CID 110991929

IUPAC1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine
SMILESC/N=C(\NCCn1ccnc1)NC1CCCC1
InChIInChI=1S/C12H21N5/c1-13-12(16-11-4-2-3-5-11)15-7-9-17-8-6-14-10-17/h6,8,10-11H,2-5,7,9H2,1H3,(H2,13,15,16)
InChIKeyIWMLUXNKPDEXDR-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.99
Rot. Bonds4

About 1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine

1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine (PubChem CID 110991929) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine
PubChem CID110991929
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine
SMILESC/N=C(\NCCn1ccnc1)NC1CCCC1
InChIInChI=1S/C12H21N5/c1-13-12(16-11-4-2-3-5-11)15-7-9-17-8-6-14-10-17/h6,8,10-11H,2-5,7,9H2,1H3,(H2,13,15,16)
InChIKeyIWMLUXNKPDEXDR-UHFFFAOYSA-N
XLogP0.99
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 110958079
1-(3-cyclopentylpropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 111946359
1-(cyclobutylmethyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 119151281
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine
CID 110991931
1-(1-benzylpiperidin-4-yl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide
CID 110986937
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110991930
1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea
CID 115570774
1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110958682
1-cyclohexyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110958222
1-cyclopentyl-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine
CID 119116708
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 111924727
ethyl 4-[[N-(3-imidazol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111327788

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine?
The IUPAC name of 1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine (CID 110991929) is 1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine.
What is the SMILES notation for 1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine?
The canonical SMILES for 1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine is C/N=C(\NCCn1ccnc1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine?
The InChIKey is IWMLUXNKPDEXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-13-12(16-11-4-2-3-5-11)15-7-9-17-8-6-14-10-17/h6,8,10-11H,2-5,7,9H2,1H3,(H2,13,15,16).
What are the key properties of 1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine?
1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine has a molecular weight of 235.33 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine is sourced from PubChem (CID 110991929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).