1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C15H25IN4 — CID 110957791

IUPAC1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCc1ccccn1)NC1CCCCC1.I
InChIInChI=1S/C15H24N4.HI/c1-16-15(19-14-8-3-2-4-9-14)18-12-10-13-7-5-6-11-17-13;/h5-7,11,14H,2-4,8-10,12H2,1H3,(H2,16,18,19);1H
InChIKeyYMHDYHSGNXIWAA-UHFFFAOYSA-N
MW388.30 g/mol
LogP2.74
Rot. Bonds4

About 1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide

1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 110957791) has the molecular formula C15H25IN4 and a molecular weight of 388.30 g/mol. Its IUPAC name is 1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID110957791
Molecular FormulaC15H25IN4
Molecular Weight388.30 g/mol
Exact Mass388.11
IUPAC Name1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCc1ccccn1)NC1CCCCC1.I
InChIInChI=1S/C15H24N4.HI/c1-16-15(19-14-8-3-2-4-9-14)18-12-10-13-7-5-6-11-17-13;/h5-7,11,14H,2-4,8-10,12H2,1H3,(H2,16,18,19);1H
InChIKeyYMHDYHSGNXIWAA-UHFFFAOYSA-N
XLogP2.74
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 52.74
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 110933648
N-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide
CID 111193162
1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119140089
2-[[(cyclohexylamino)-(2-pyridin-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110958733
ethyl 4-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111327294
1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111762409
1-cyclohexyl-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 110959230
1-(2,2-dicyclopropylethyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111500308
1-[2-(azepan-1-yl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111192230
1-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111756925
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 110054443
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119153797

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 110957791) is 1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide is C/N=C(\NCCc1ccccn1)NC1CCCCC1.I.
What is the InChIKey of 1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is YMHDYHSGNXIWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4.HI/c1-16-15(19-14-8-3-2-4-9-14)18-12-10-13-7-5-6-11-17-13;/h5-7,11,14H,2-4,8-10,12H2,1H3,(H2,16,18,19);1H.
What are the key properties of 1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 388.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110957791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).