1-butan-2-yl-2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide

C19H32ClIN4O — CID 110936796

IUPAC1-butan-2-yl-2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide
SMILESCCC(C)N/C(N)=N/CC(c1ccc(Cl)cc1)N1CCOC(C)(C)C1.I
InChIInChI=1S/C19H31ClN4O.HI/c1-5-14(2)23-18(21)22-12-17(15-6-8-16(20)9-7-15)24-10-11-25-19(3,4)13-24;/h6-9,14,17H,5,10-13H2,1-4H3,(H3,21,22,23);1H
InChIKeyDBBZQLHCKIKGFX-UHFFFAOYSA-N
MW494.85 g/mol
LogP3.81
Rot. Bonds6

About 1-butan-2-yl-2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide

1-butan-2-yl-2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide (PubChem CID 110936796) has the molecular formula C19H32ClIN4O and a molecular weight of 494.85 g/mol. Its IUPAC name is 1-butan-2-yl-2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-butan-2-yl-2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide
PubChem CID110936796
Molecular FormulaC19H32ClIN4O
Molecular Weight494.85 g/mol
Exact Mass494.13
IUPAC Name1-butan-2-yl-2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide
SMILESCCC(C)N/C(N)=N/CC(c1ccc(Cl)cc1)N1CCOC(C)(C)C1.I
InChIInChI=1S/C19H31ClN4O.HI/c1-5-14(2)23-18(21)22-12-17(15-6-8-16(20)9-7-15)24-10-11-25-19(3,4)13-24;/h6-9,14,17H,5,10-13H2,1-4H3,(H3,21,22,23);1H
InChIKeyDBBZQLHCKIKGFX-UHFFFAOYSA-N
XLogP3.81
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.85
LogP ≤ 53.81
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-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide
CID 110936786
2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-(2-methylprop-2-enyl)guanidine
CID 136859919
2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-phenylguanidine
CID 110936795
1-(4-chlorophenyl)-1-(2,2-dimethylmorpholin-4-yl)propan-2-amine
CID 55015046
2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 119114926
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclohexylguanidine;hydroiodide
CID 111087032
1-(1-methoxypropan-2-yl)-2-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111094332
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111235548
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3,4-dimethylphenyl)guanidine
CID 111087045
N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide
CID 111087099
N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine
CID 133287599
1-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111407150

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-butan-2-yl-2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide (CID 110936796) is 1-butan-2-yl-2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-butan-2-yl-2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-butan-2-yl-2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide is CCC(C)N/C(N)=N/CC(c1ccc(Cl)cc1)N1CCOC(C)(C)C1.I.
What is the InChIKey of 1-butan-2-yl-2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide?
The InChIKey is DBBZQLHCKIKGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31ClN4O.HI/c1-5-14(2)23-18(21)22-12-17(15-6-8-16(20)9-7-15)24-10-11-25-19(3,4)13-24;/h6-9,14,17H,5,10-13H2,1-4H3,(H3,21,22,23);1H.
What are the key properties of 1-butan-2-yl-2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide?
1-butan-2-yl-2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide has a molecular weight of 494.85 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110936796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).