1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide

C19H33IN4O2 — CID 109410792

IUPAC1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESC/N=C(\NCC(C)CN1CCOCC1)NCC(CO)c1ccccc1.I
InChIInChI=1S/C19H32N4O2.HI/c1-16(14-23-8-10-25-11-9-23)12-21-19(20-2)22-13-18(15-24)17-6-4-3-5-7-17;/h3-7,16,18,24H,8-15H2,1-2H3,(H2,20,21,22);1H
InChIKeyLRVKSXFUTLIVEK-UHFFFAOYSA-N
MW476.40 g/mol
LogP1.51
Rot. Bonds8

About 1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide

1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide (PubChem CID 109410792) has the molecular formula C19H33IN4O2 and a molecular weight of 476.40 g/mol. Its IUPAC name is 1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
PubChem CID109410792
Molecular FormulaC19H33IN4O2
Molecular Weight476.40 g/mol
Exact Mass476.16
IUPAC Name1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESC/N=C(\NCC(C)CN1CCOCC1)NCC(CO)c1ccccc1.I
InChIInChI=1S/C19H32N4O2.HI/c1-16(14-23-8-10-25-11-9-23)12-21-19(20-2)22-13-18(15-24)17-6-4-3-5-7-17;/h3-7,16,18,24H,8-15H2,1-2H3,(H2,20,21,22);1H
InChIKeyLRVKSXFUTLIVEK-UHFFFAOYSA-N
XLogP1.51
TPSA69.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.40
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(3-phenoxypropyl)guanidine;hydroiodide
CID 111840550
2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111375481
2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylpropyl)guanidine
CID 111835613
1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine;hydroiodide
CID 109410102
2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111837176
1-(2,2-diphenylethyl)-2-methyl-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111356839
1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine
CID 109410103
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]guanidine
CID 109409652
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111839039
2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111835831
1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111837652
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine
CID 109408695

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide (CID 109410792) is 1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide is C/N=C(\NCC(C)CN1CCOCC1)NCC(CO)c1ccccc1.I.
What is the InChIKey of 1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The InChIKey is LRVKSXFUTLIVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2.HI/c1-16(14-23-8-10-25-11-9-23)12-21-19(20-2)22-13-18(15-24)17-6-4-3-5-7-17;/h3-7,16,18,24H,8-15H2,1-2H3,(H2,20,21,22);1H.
What are the key properties of 1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide?
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide has a molecular weight of 476.40 g/mol, XLogP of 1.51, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 109410792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).