2-methyl-1-(3-methyl-2-phenylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

C19H33IN4O — CID 111069121

IUPAC2-methyl-1-(3-methyl-2-phenylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCN1CCOCC1)NCC(c1ccccc1)C(C)C.I
InChIInChI=1S/C19H32N4O.HI/c1-16(2)18(17-7-5-4-6-8-17)15-22-19(20-3)21-9-10-23-11-13-24-14-12-23;/h4-8,16,18H,9-15H2,1-3H3,(H2,20,21,22);1H
InChIKeyRZAWRDGUQKNETI-UHFFFAOYSA-N
MW460.40 g/mol
LogP2.54
Rot. Bonds7

About 2-methyl-1-(3-methyl-2-phenylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

2-methyl-1-(3-methyl-2-phenylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (PubChem CID 111069121) has the molecular formula C19H33IN4O and a molecular weight of 460.40 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-2-phenylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-2-phenylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
PubChem CID111069121
Molecular FormulaC19H33IN4O
Molecular Weight460.40 g/mol
Exact Mass460.17
IUPAC Name2-methyl-1-(3-methyl-2-phenylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCN1CCOCC1)NCC(c1ccccc1)C(C)C.I
InChIInChI=1S/C19H32N4O.HI/c1-16(2)18(17-7-5-4-6-8-17)15-22-19(20-3)21-9-10-23-11-13-24-14-12-23;/h4-8,16,18H,9-15H2,1-3H3,(H2,20,21,22);1H
InChIKeyRZAWRDGUQKNETI-UHFFFAOYSA-N
XLogP2.54
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-morpholin-4-ylethyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111029813
2-methyl-1-(2-morpholin-4-yl-2-phenylethyl)-3-(2-piperidin-1-ylethyl)guanidine
CID 111416049
2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine
CID 111022923
2-methyl-1-[2-(4-methylphenyl)propyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111621866
2-methyl-1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111054870
1-(3-anilinopropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111088199
1-(2-hydroxy-2-phenylpropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111823554
1-(2,3-diphenylpropyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 109389216
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111010707
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111087097
1-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111054780
1-[2-(2-bromophenoxy)propyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111752742

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-2-phenylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(3-methyl-2-phenylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (CID 111069121) is 2-methyl-1-(3-methyl-2-phenylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(3-methyl-2-phenylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(3-methyl-2-phenylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is C/N=C(\NCCN1CCOCC1)NCC(c1ccccc1)C(C)C.I.
What is the InChIKey of 2-methyl-1-(3-methyl-2-phenylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The InChIKey is RZAWRDGUQKNETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O.HI/c1-16(2)18(17-7-5-4-6-8-17)15-22-19(20-3)21-9-10-23-11-13-24-14-12-23;/h4-8,16,18H,9-15H2,1-3H3,(H2,20,21,22);1H.
What are the key properties of 2-methyl-1-(3-methyl-2-phenylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
2-methyl-1-(3-methyl-2-phenylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide has a molecular weight of 460.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-2-phenylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111069121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).