2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C18H33IN4 — CID 111076559

IUPAC2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCCCCCCC(C)C/N=C(\N)NCCc1ccccn1.I
InChIInChI=1S/C18H32N4.HI/c1-3-4-5-6-7-10-16(2)15-22-18(19)21-14-12-17-11-8-9-13-20-17;/h8-9,11,13,16H,3-7,10,12,14-15H2,1-2H3,(H3,19,21,22);1H
InChIKeyNLUXKLXOTVSSKH-UHFFFAOYSA-N
MW432.39 g/mol
LogP4.14
Rot. Bonds11

About 2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111076559) has the molecular formula C18H33IN4 and a molecular weight of 432.39 g/mol. Its IUPAC name is 2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111076559
Molecular FormulaC18H33IN4
Molecular Weight432.39 g/mol
Exact Mass432.17
IUPAC Name2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCCCCCCC(C)C/N=C(\N)NCCc1ccccn1.I
InChIInChI=1S/C18H32N4.HI/c1-3-4-5-6-7-10-16(2)15-22-18(19)21-14-12-17-11-8-9-13-20-17;/h8-9,11,13,16H,3-7,10,12,14-15H2,1-2H3,(H3,19,21,22);1H
InChIKeyNLUXKLXOTVSSKH-UHFFFAOYSA-N
XLogP4.14
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.39
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296
2-(2-methyl-3-piperidin-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111074682
2-(2-methyl-3-thiophen-2-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111673485
1-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111816863
1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111023230
2-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 95761539
2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026298
2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111066396
1-butyl-2-(pyridin-2-ylmethyl)guanidine
CID 111023231
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide
CID 111032170

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111076559) is 2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is CCCCCCCC(C)C/N=C(\N)NCCc1ccccn1.I.
What is the InChIKey of 2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is NLUXKLXOTVSSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4.HI/c1-3-4-5-6-7-10-16(2)15-22-18(19)21-14-12-17-11-8-9-13-20-17;/h8-9,11,13,16H,3-7,10,12,14-15H2,1-2H3,(H3,19,21,22);1H.
What are the key properties of 2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 432.39 g/mol, XLogP of 4.14, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111076559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).