1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide

C16H34IN5O — CID 111804104

IUPAC1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCN(CCN/C(N)=N/CCCN1CCOCC1)C1CCCC1.I
InChIInChI=1S/C16H33N5O.HI/c1-20(15-5-2-3-6-15)10-8-19-16(17)18-7-4-9-21-11-13-22-14-12-21;/h15H,2-14H2,1H3,(H3,17,18,19);1H
InChIKeyODYDLGVSVHPHJJ-UHFFFAOYSA-N
MW439.39 g/mol
LogP1.11
Rot. Bonds8

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

1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide (PubChem CID 111804104) has the molecular formula C16H34IN5O and a molecular weight of 439.39 g/mol. Its IUPAC name is 1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
PubChem CID111804104
Molecular FormulaC16H34IN5O
Molecular Weight439.39 g/mol
Exact Mass439.18
IUPAC Name1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCN(CCN/C(N)=N/CCCN1CCOCC1)C1CCCC1.I
InChIInChI=1S/C16H33N5O.HI/c1-20(15-5-2-3-6-15)10-8-19-16(17)18-7-4-9-21-11-13-22-14-12-21;/h15H,2-14H2,1H3,(H3,17,18,19);1H
InChIKeyODYDLGVSVHPHJJ-UHFFFAOYSA-N
XLogP1.11
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
1-[2-[ethyl(propyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111600589
1-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111077966
1-[2-[benzyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111078725
1-[2-(3-methylcyclohexyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111558248
2-[3-(3-methylpiperidin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056935
1-[4-(N-methylanilino)butyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111078602
2-(3-morpholin-4-ylpropyl)-1-[2-(oxan-2-yl)ethyl]guanidine
CID 110018736
1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111056854
2-(3-morpholin-4-ylpropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine
CID 111041853

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide (CID 111804104) is 1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide is CN(CCN/C(N)=N/CCCN1CCOCC1)C1CCCC1.I.
What is the InChIKey of 1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The InChIKey is ODYDLGVSVHPHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5O.HI/c1-20(15-5-2-3-6-15)10-8-19-16(17)18-7-4-9-21-11-13-22-14-12-21;/h15H,2-14H2,1H3,(H3,17,18,19);1H.
What are the key properties of 1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide has a molecular weight of 439.39 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111804104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).