N'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide

C15H23BrIN3O — CID 111096268

IUPACN'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC(C)(C/N=C(\N)N1CCOCC1)c1cccc(Br)c1.I
InChIInChI=1S/C15H22BrN3O.HI/c1-15(2,12-4-3-5-13(16)10-12)11-18-14(17)19-6-8-20-9-7-19;/h3-5,10H,6-9,11H2,1-2H3,(H2,17,18);1H
InChIKeyCMKLONKMXAPRPV-UHFFFAOYSA-N
MW468.18 g/mol
LogP2.99
Rot. Bonds3

About N'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide

N'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111096268) has the molecular formula C15H23BrIN3O and a molecular weight of 468.18 g/mol. Its IUPAC name is N'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111096268
Molecular FormulaC15H23BrIN3O
Molecular Weight468.18 g/mol
Exact Mass467.01
IUPAC NameN'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC(C)(C/N=C(\N)N1CCOCC1)c1cccc(Br)c1.I
InChIInChI=1S/C15H22BrN3O.HI/c1-15(2,12-4-3-5-13(16)10-12)11-18-14(17)19-6-8-20-9-7-19;/h3-5,10H,6-9,11H2,1-2H3,(H2,17,18);1H
InChIKeyCMKLONKMXAPRPV-UHFFFAOYSA-N
XLogP2.99
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.18
LogP ≤ 52.99
H-Bond Donors ≤ 51
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

N'-[2-(4-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111070095
N'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide
CID 111088020
N'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide
CID 111859849
N'-[2-(4-bromophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111070123
2-[2-(3-bromophenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111096282
N'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide
CID 111812086
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111091110
N'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide
CID 111097140
2-[2-(3-bromophenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine
CID 111096283
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453
N'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 111823918
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methylpiperidine-1-carboximidamide
CID 110920365

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide (CID 111096268) is N'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide is CC(C)(C/N=C(\N)N1CCOCC1)c1cccc(Br)c1.I.
What is the InChIKey of N'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is CMKLONKMXAPRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O.HI/c1-15(2,12-4-3-5-13(16)10-12)11-18-14(17)19-6-8-20-9-7-19;/h3-5,10H,6-9,11H2,1-2H3,(H2,17,18);1H.
What are the key properties of N'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide?
N'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 468.18 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111096268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).