2-(1-adamantylmethyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide

C19H35IN4O — CID 111026426

IUPAC2-(1-adamantylmethyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC12CC3CC(CC(C3)C1)C2)NCCCN1CCOCC1
InChIInChI=1S/C19H34N4O.HI/c20-18(21-2-1-3-23-4-6-24-7-5-23)22-14-19-11-15-8-16(12-19)10-17(9-15)13-19;/h15-17H,1-14H2,(H3,20,21,22);1H
InChIKeyZWIFICWPDCNRSI-UHFFFAOYSA-N
MW462.42 g/mol
LogP2.45
Rot. Bonds6

About 2-(1-adamantylmethyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide

2-(1-adamantylmethyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide (PubChem CID 111026426) has the molecular formula C19H35IN4O and a molecular weight of 462.42 g/mol. Its IUPAC name is 2-(1-adamantylmethyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(1-adamantylmethyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
PubChem CID111026426
Molecular FormulaC19H35IN4O
Molecular Weight462.42 g/mol
Exact Mass462.19
IUPAC Name2-(1-adamantylmethyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC12CC3CC(CC(C3)C1)C2)NCCCN1CCOCC1
InChIInChI=1S/C19H34N4O.HI/c20-18(21-2-1-3-23-4-6-24-7-5-23)22-14-19-11-15-8-16(12-19)10-17(9-15)13-19;/h15-17H,1-14H2,(H3,20,21,22);1H
InChIKeyZWIFICWPDCNRSI-UHFFFAOYSA-N
XLogP2.45
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.42
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

2-(1-adamantylmethyl)-1-[5-(azocan-1-yl)pentyl]guanidine;dihydrochloride
CID 22500553
2-(1-adamantylmethyl)-1-[2-(2-pyrrolidin-1-ylethoxy)ethyl]guanidine
CID 22500514
2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111911902
1-(3-morpholin-4-ylpropyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine
CID 111067628
2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111821064
1-[3-(1-adamantyl)propyl]-2-(3-pyrrolidin-1-ylpropyl)guanidine;dihydrochloride
CID 22500393
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111077161
1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide
CID 111059844
2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111065342
2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111816573
2-(2-methylprop-2-enyl)-1-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111059920
2-(2-methyl-2-methylsulfonylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111752129

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylmethyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-(1-adamantylmethyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide (CID 111026426) is 2-(1-adamantylmethyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(1-adamantylmethyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-(1-adamantylmethyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide is I.N/C(=N\CC12CC3CC(CC(C3)C1)C2)NCCCN1CCOCC1.
What is the InChIKey of 2-(1-adamantylmethyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The InChIKey is ZWIFICWPDCNRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O.HI/c20-18(21-2-1-3-23-4-6-24-7-5-23)22-14-19-11-15-8-16(12-19)10-17(9-15)13-19;/h15-17H,1-14H2,(H3,20,21,22);1H.
What are the key properties of 2-(1-adamantylmethyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
2-(1-adamantylmethyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide has a molecular weight of 462.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylmethyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111026426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).