1-[2-(3-methylcyclohexyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide

C17H35IN4O — CID 111558248

IUPAC1-[2-(3-methylcyclohexyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCC1CCCC(CCN/C(N)=N/CCCN2CCOCC2)C1.I
InChIInChI=1S/C17H34N4O.HI/c1-15-4-2-5-16(14-15)6-8-20-17(18)19-7-3-9-21-10-12-22-13-11-21;/h15-16H,2-14H2,1H3,(H3,18,19,20);1H
InChIKeyUEBIGWPBBMVGDR-UHFFFAOYSA-N
MW438.40 g/mol
LogP2.45
Rot. Bonds7

About 1-[2-(3-methylcyclohexyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide

1-[2-(3-methylcyclohexyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide (PubChem CID 111558248) has the molecular formula C17H35IN4O and a molecular weight of 438.40 g/mol. Its IUPAC name is 1-[2-(3-methylcyclohexyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(3-methylcyclohexyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
PubChem CID111558248
Molecular FormulaC17H35IN4O
Molecular Weight438.40 g/mol
Exact Mass438.19
IUPAC Name1-[2-(3-methylcyclohexyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCC1CCCC(CCN/C(N)=N/CCCN2CCOCC2)C1.I
InChIInChI=1S/C17H34N4O.HI/c1-15-4-2-5-16(14-15)6-8-20-17(18)19-7-3-9-21-10-12-22-13-11-21;/h15-16H,2-14H2,1H3,(H3,18,19,20);1H
InChIKeyUEBIGWPBBMVGDR-UHFFFAOYSA-N
XLogP2.45
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.40
LogP ≤ 52.45
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

1-(3-cyclopentylpropyl)-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111062761
1-[2-(4-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056682
2-[3-(3-methylpiperidin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056935
1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111056854
2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111557978
2-(3-morpholin-4-ylpropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine
CID 111041853
1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111804104
2-(3-morpholin-4-ylpropyl)-1-[2-(oxan-2-yl)ethyl]guanidine
CID 110018736
1-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
1-ethyl-2-[(3-methylcyclohexyl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971650
1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111054905
1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide
CID 111059844

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylcyclohexyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(3-methylcyclohexyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide (CID 111558248) is 1-[2-(3-methylcyclohexyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(3-methylcyclohexyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(3-methylcyclohexyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide is CC1CCCC(CCN/C(N)=N/CCCN2CCOCC2)C1.I.
What is the InChIKey of 1-[2-(3-methylcyclohexyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The InChIKey is UEBIGWPBBMVGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O.HI/c1-15-4-2-5-16(14-15)6-8-20-17(18)19-7-3-9-21-10-12-22-13-11-21;/h15-16H,2-14H2,1H3,(H3,18,19,20);1H.
What are the key properties of 1-[2-(3-methylcyclohexyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
1-[2-(3-methylcyclohexyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide has a molecular weight of 438.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylcyclohexyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111558248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).