2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C17H30IN5 — CID 111057297

IUPAC2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCN(CC/N=C(\N)NCCc1ccccn1)C1CCCCC1.I
InChIInChI=1S/C17H29N5.HI/c1-22(16-8-3-2-4-9-16)14-13-21-17(18)20-12-10-15-7-5-6-11-19-15;/h5-7,11,16H,2-4,8-10,12-14H2,1H3,(H3,18,20,21);1H
InChIKeyVLIVHLPJOLKCNZ-UHFFFAOYSA-N
MW431.37 g/mol
LogP2.41
Rot. Bonds7

About 2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111057297) has the molecular formula C17H30IN5 and a molecular weight of 431.37 g/mol. Its IUPAC name is 2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111057297
Molecular FormulaC17H30IN5
Molecular Weight431.37 g/mol
Exact Mass431.15
IUPAC Name2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCN(CC/N=C(\N)NCCc1ccccn1)C1CCCCC1.I
InChIInChI=1S/C17H29N5.HI/c1-22(16-8-3-2-4-9-16)14-13-21-17(18)20-12-10-15-7-5-6-11-19-15;/h5-7,11,16H,2-4,8-10,12-14H2,1H3,(H3,18,20,21);1H
InChIKeyVLIVHLPJOLKCNZ-UHFFFAOYSA-N
XLogP2.41
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 52.41
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'}

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Related Compounds

2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026298
2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111075397
2-(2-cycloheptyloxyethyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111575875
N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752286
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide
CID 111090861
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111066396
2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111077449
2-(4,4-dimethylpentyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111637947
2-[3-(3-methylpiperidin-1-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111056945
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800785

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111057297) is 2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is CN(CC/N=C(\N)NCCc1ccccn1)C1CCCCC1.I.
What is the InChIKey of 2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is VLIVHLPJOLKCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5.HI/c1-22(16-8-3-2-4-9-16)14-13-21-17(18)20-12-10-15-7-5-6-11-19-15;/h5-7,11,16H,2-4,8-10,12-14H2,1H3,(H3,18,20,21);1H.
What are the key properties of 2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 431.37 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111057297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).