2-methyl-1-prop-2-enyl-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide

C14H24IN5 — CID 119116272

IUPAC2-methyl-1-prop-2-enyl-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCCc1cn2c(n1)CCCC2.I
InChIInChI=1S/C14H23N5.HI/c1-3-8-16-14(15-2)17-9-7-12-11-19-10-5-4-6-13(19)18-12;/h3,11H,1,4-10H2,2H3,(H2,15,16,17);1H
InChIKeyVXBGJCISUNIOGD-UHFFFAOYSA-N
MW389.29 g/mol
LogP1.73
Rot. Bonds5

About 2-methyl-1-prop-2-enyl-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide

2-methyl-1-prop-2-enyl-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 119116272) has the molecular formula C14H24IN5 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enyl-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-prop-2-enyl-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
PubChem CID119116272
Molecular FormulaC14H24IN5
Molecular Weight389.29 g/mol
Exact Mass389.11
IUPAC Name2-methyl-1-prop-2-enyl-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCCc1cn2c(n1)CCCC2.I
InChIInChI=1S/C14H23N5.HI/c1-3-8-16-14(15-2)17-9-7-12-11-19-10-5-4-6-13(19)18-12;/h3,11H,1,4-10H2,2H3,(H2,15,16,17);1H
InChIKeyVXBGJCISUNIOGD-UHFFFAOYSA-N
XLogP1.73
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 51.73
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-prop-2-enyl-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]guanidine;hydroiodide
CID 110982856
3-(methoxymethyl)-N'-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119143503
trans-(1R,2R)-2-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclopropane-1-carboxamide
CID 95276765
1-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea
CID 42892000
2-methyl-1-prop-2-enyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)guanidine
CID 110982299
2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine
CID 119141082
1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119141537
2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide
CID 111759336
1-(2-methoxyethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119121242
1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine
CID 119141538
2-methyl-1-prop-2-enyl-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 110980497
2,3,5,6-tetrafluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyridin-4-amine
CID 133371065

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-2-enyl-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-prop-2-enyl-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide (CID 119116272) is 2-methyl-1-prop-2-enyl-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-prop-2-enyl-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-prop-2-enyl-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide is C=CCN/C(=N\C)NCCc1cn2c(n1)CCCC2.I.
What is the InChIKey of 2-methyl-1-prop-2-enyl-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?
The InChIKey is VXBGJCISUNIOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5.HI/c1-3-8-16-14(15-2)17-9-7-12-11-19-10-5-4-6-13(19)18-12;/h3,11H,1,4-10H2,2H3,(H2,15,16,17);1H.
What are the key properties of 2-methyl-1-prop-2-enyl-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?
2-methyl-1-prop-2-enyl-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 389.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-enyl-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 119116272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).