1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide

C19H32IN3O — CID 109408309

IUPAC1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCC(CO)c1ccccc1)NCC1CCCCC1C.I
InChIInChI=1S/C19H31N3O.HI/c1-15-8-6-7-11-17(15)12-21-19(20-2)22-13-18(14-23)16-9-4-3-5-10-16;/h3-5,9-10,15,17-18,23H,6-8,11-14H2,1-2H3,(H2,20,21,22);1H
InChIKeyRZNPAXWEWCCUOP-UHFFFAOYSA-N
MW445.39 g/mol
LogP3.37
Rot. Bonds6

About 1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide

1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide (PubChem CID 109408309) has the molecular formula C19H32IN3O and a molecular weight of 445.39 g/mol. Its IUPAC name is 1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
PubChem CID109408309
Molecular FormulaC19H32IN3O
Molecular Weight445.39 g/mol
Exact Mass445.16
IUPAC Name1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCC(CO)c1ccccc1)NCC1CCCCC1C.I
InChIInChI=1S/C19H31N3O.HI/c1-15-8-6-7-11-17(15)12-21-19(20-2)22-13-18(14-23)16-9-4-3-5-10-16;/h3-5,9-10,15,17-18,23H,6-8,11-14H2,1-2H3,(H2,20,21,22);1H
InChIKeyRZNPAXWEWCCUOP-UHFFFAOYSA-N
XLogP3.37
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.39
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(2-phenyloxan-3-yl)methyl]guanidine;hydroiodide
CID 109410468
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(2-phenyloxolan-3-yl)methyl]guanidine
CID 109408633
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 109409727
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 109409300
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]guanidine
CID 109408601
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine;hydroiodide
CID 109410532
1-(cyclopropylmethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 111867847
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 109408317
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
CID 109410023
1-(3-hydroxy-2-phenylpropyl)-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylguanidine
CID 109408737
1-(3-fluoropropyl)-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine;hydroiodide
CID 109407562
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine
CID 109410047

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide (CID 109408309) is 1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide is C/N=C(\NCC(CO)c1ccccc1)NCC1CCCCC1C.I.
What is the InChIKey of 1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide?
The InChIKey is RZNPAXWEWCCUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.HI/c1-15-8-6-7-11-17(15)12-21-19(20-2)22-13-18(14-23)16-9-4-3-5-10-16;/h3-5,9-10,15,17-18,23H,6-8,11-14H2,1-2H3,(H2,20,21,22);1H.
What are the key properties of 1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide?
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide has a molecular weight of 445.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 109408309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).