1-benzyl-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide

C24H33IN4O2 — CID 110950625

IUPAC1-benzyl-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide
SMILESC/N=C(/NCc1ccc(C(=O)N2CC(C)OC(C)C2)cc1)N(C)Cc1ccccc1.I
InChIInChI=1S/C24H32N4O2.HI/c1-18-15-28(16-19(2)30-18)23(29)22-12-10-20(11-13-22)14-26-24(25-3)27(4)17-21-8-6-5-7-9-21;/h5-13,18-19H,14-17H2,1-4H3,(H,25,26);1H
InChIKeyVNWJEJGMSWHESA-UHFFFAOYSA-N
MW536.46 g/mol
LogP3.76
Rot. Bonds5

About 1-benzyl-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide

1-benzyl-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide (PubChem CID 110950625) has the molecular formula C24H33IN4O2 and a molecular weight of 536.46 g/mol. Its IUPAC name is 1-benzyl-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-benzyl-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide
PubChem CID110950625
Molecular FormulaC24H33IN4O2
Molecular Weight536.46 g/mol
Exact Mass536.16
IUPAC Name1-benzyl-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide
SMILESC/N=C(/NCc1ccc(C(=O)N2CC(C)OC(C)C2)cc1)N(C)Cc1ccccc1.I
InChIInChI=1S/C24H32N4O2.HI/c1-18-15-28(16-19(2)30-18)23(29)22-12-10-20(11-13-22)14-26-24(25-3)27(4)17-21-8-6-5-7-9-21;/h5-13,18-19H,14-17H2,1-4H3,(H,25,26);1H
InChIKeyVNWJEJGMSWHESA-UHFFFAOYSA-N
XLogP3.76
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
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'}

Analyze 1-benzyl-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,2-dimethylguanidine;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

4-[[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]methyl]-N-ethylbenzamide;hydroiodide
CID 110950335
1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3-[(2-ethylphenyl)methyl]-2-methylguanidine
CID 111636025
1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methyl-3-(3-phenylpropyl)guanidine
CID 111199272
4-[[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]methyl]-N-ethylbenzamide
CID 110950336
1-[(2-chlorophenyl)methyl]-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111174037
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210928
1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine
CID 111948309
1-[(5-bromothiophen-2-yl)methyl]-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-methylurea
CID 60588428
1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111962382
1-cyclopentyl-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110990252
3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 146081496
1-benzyl-3-[(4-fluorophenyl)methyl]-1,2-dimethylguanidine
CID 110951200

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide?
The IUPAC name of 1-benzyl-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide (CID 110950625) is 1-benzyl-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-benzyl-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-benzyl-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide is C/N=C(/NCc1ccc(C(=O)N2CC(C)OC(C)C2)cc1)N(C)Cc1ccccc1.I.
What is the InChIKey of 1-benzyl-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide?
The InChIKey is VNWJEJGMSWHESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2.HI/c1-18-15-28(16-19(2)30-18)23(29)22-12-10-20(11-13-22)14-26-24(25-3)27(4)17-21-8-6-5-7-9-21;/h5-13,18-19H,14-17H2,1-4H3,(H,25,26);1H.
What are the key properties of 1-benzyl-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide?
1-benzyl-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide has a molecular weight of 536.46 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide is sourced from PubChem (CID 110950625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).