1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide

C15H31IN4O — CID 111059840

IUPAC1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCCCN1CCOCC1)NC1CCCCC1
InChIInChI=1S/C15H30N4O.HI/c16-15(18-14-6-2-1-3-7-14)17-8-4-5-9-19-10-12-20-13-11-19;/h14H,1-13H2,(H3,16,17,18);1H
InChIKeySNFWVSCYBZTEQG-UHFFFAOYSA-N
MW410.34 g/mol
LogP1.95
Rot. Bonds6

About 1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide

1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide (PubChem CID 111059840) has the molecular formula C15H31IN4O and a molecular weight of 410.34 g/mol. Its IUPAC name is 1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
PubChem CID111059840
Molecular FormulaC15H31IN4O
Molecular Weight410.34 g/mol
Exact Mass410.15
IUPAC Name1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCCCN1CCOCC1)NC1CCCCC1
InChIInChI=1S/C15H30N4O.HI/c16-15(18-14-6-2-1-3-7-14)17-8-4-5-9-19-10-12-20-13-11-19;/h14H,1-13H2,(H3,16,17,18);1H
InChIKeySNFWVSCYBZTEQG-UHFFFAOYSA-N
XLogP1.95
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 51.95
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-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117536
1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111059033
1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111056913
1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060057
1-(3-cyclopentylpropyl)-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111062761
1-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
1-cyclopentyl-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 110990839
ethyl 4-[[N'-(4-pyrrolidin-1-ylbutyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111059784
1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide
CID 111752643
1-cyclohexyl-2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]guanidine;hydroiodide
CID 111806095
N'-(3-morpholin-4-ylpropyl)cyclopentanecarboximidamide
CID 63175576
1-cyclohexyl-2-octylguanidine
CID 113337391

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide (CID 111059840) is 1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide is I.N/C(=N\CCCCN1CCOCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide?
The InChIKey is SNFWVSCYBZTEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O.HI/c16-15(18-14-6-2-1-3-7-14)17-8-4-5-9-19-10-12-20-13-11-19;/h14H,1-13H2,(H3,16,17,18);1H.
What are the key properties of 1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide?
1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide has a molecular weight of 410.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide is sourced from PubChem (CID 111059840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).