1-heptan-2-yl-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide

C19H32IN5 — CID 111835870

IUPAC1-heptan-2-yl-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
SMILESCCCCCC(C)N/C(=N\C)NCCc1cn2cccc(C)c2n1.I
InChIInChI=1S/C19H31N5.HI/c1-5-6-7-10-16(3)22-19(20-4)21-12-11-17-14-24-13-8-9-15(2)18(24)23-17;/h8-9,13-14,16H,5-7,10-12H2,1-4H3,(H2,20,21,22);1H
InChIKeySSRWMVZCBVEYKT-UHFFFAOYSA-N
MW457.40 g/mol
LogP3.94
Rot. Bonds8

About 1-heptan-2-yl-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide

1-heptan-2-yl-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 111835870) has the molecular formula C19H32IN5 and a molecular weight of 457.40 g/mol. Its IUPAC name is 1-heptan-2-yl-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-heptan-2-yl-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
PubChem CID111835870
Molecular FormulaC19H32IN5
Molecular Weight457.40 g/mol
Exact Mass457.17
IUPAC Name1-heptan-2-yl-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
SMILESCCCCCC(C)N/C(=N\C)NCCc1cn2cccc(C)c2n1.I
InChIInChI=1S/C19H31N5.HI/c1-5-6-7-10-16(3)22-19(20-4)21-12-11-17-14-24-13-8-9-15(2)18(24)23-17;/h8-9,13-14,16H,5-7,10-12H2,1-4H3,(H2,20,21,22);1H
InChIKeySSRWMVZCBVEYKT-UHFFFAOYSA-N
XLogP3.94
TPSA53.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.40
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111834882
2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111835136
1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111836748
2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111840593
N',3-dimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 102559379
2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111836404
1-(1-hydroxy-4-methylpentan-3-yl)-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]urea
CID 111566486
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111837859
1-[2-(furan-2-yl)ethyl]-3-heptan-2-yl-2-methylguanidine;hydroiodide
CID 111194871
1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine;hydroiodide
CID 109496303
1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine
CID 111837347
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111836314

Frequently Asked Questions

What is the IUPAC name of 1-heptan-2-yl-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-heptan-2-yl-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide (CID 111835870) is 1-heptan-2-yl-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-heptan-2-yl-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-heptan-2-yl-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide is CCCCCC(C)N/C(=N\C)NCCc1cn2cccc(C)c2n1.I.
What is the InChIKey of 1-heptan-2-yl-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?
The InChIKey is SSRWMVZCBVEYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5.HI/c1-5-6-7-10-16(3)22-19(20-4)21-12-11-17-14-24-13-8-9-15(2)18(24)23-17;/h8-9,13-14,16H,5-7,10-12H2,1-4H3,(H2,20,21,22);1H.
What are the key properties of 1-heptan-2-yl-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?
1-heptan-2-yl-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 457.40 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-2-yl-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111835870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).