1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide

C16H29IN6 — CID 119150641

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCc1nccn1C)NC1CCN(C2CCCC2)C1.I
InChIInChI=1S/C16H28N6.HI/c1-17-16(19-11-15-18-8-10-21(15)2)20-13-7-9-22(12-13)14-5-3-4-6-14;/h8,10,13-14H,3-7,9,11-12H2,1-2H3,(H2,17,19,20);1H
InChIKeyPZMJNDLRCQJQAS-UHFFFAOYSA-N
MW432.35 g/mol
LogP1.72
Rot. Bonds4

About 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide

1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide (PubChem CID 119150641) has the molecular formula C16H29IN6 and a molecular weight of 432.35 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide
PubChem CID119150641
Molecular FormulaC16H29IN6
Molecular Weight432.35 g/mol
Exact Mass432.15
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCc1nccn1C)NC1CCN(C2CCCC2)C1.I
InChIInChI=1S/C16H28N6.HI/c1-17-16(19-11-15-18-8-10-21(15)2)20-13-7-9-22(12-13)14-5-3-4-6-14;/h8,10,13-14H,3-7,9,11-12H2,1-2H3,(H2,17,19,20);1H
InChIKeyPZMJNDLRCQJQAS-UHFFFAOYSA-N
XLogP1.72
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 119150712
1-(cyclopentylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 119150585
1-[1-(4-bromophenyl)pyrrolidin-3-yl]-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine
CID 119150546
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111918546
1-(1-cyclopentylpyrrolidin-3-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine
CID 119157142
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111920061
2-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine
CID 119149893
1-(1-cyclopentylpyrrolidin-3-yl)-3-[(2-ethoxy-4-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111920144
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 111994782
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
CID 119150752
1-(1-cyclopentylpyrrolidin-3-yl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111920118
2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119150643

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide (CID 119150641) is 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide is C/N=C(\NCc1nccn1C)NC1CCN(C2CCCC2)C1.I.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide?
The InChIKey is PZMJNDLRCQJQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6.HI/c1-17-16(19-11-15-18-8-10-21(15)2)20-13-7-9-22(12-13)14-5-3-4-6-14;/h8,10,13-14H,3-7,9,11-12H2,1-2H3,(H2,17,19,20);1H.
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide?
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 432.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 119150641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).