N'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide

C16H27IN4O2 — CID 111047873

IUPACN'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCN(C)CCOc1cccc(C/N=C(\N)N2CCOCC2)c1.I
InChIInChI=1S/C16H26N4O2.HI/c1-19(2)6-11-22-15-5-3-4-14(12-15)13-18-16(17)20-7-9-21-10-8-20;/h3-5,12H,6-11,13H2,1-2H3,(H2,17,18);1H
InChIKeyKEPDMQCLXVJPMB-UHFFFAOYSA-N
MW434.32 g/mol
LogP1.39
Rot. Bonds6

About N'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide

N'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111047873) has the molecular formula C16H27IN4O2 and a molecular weight of 434.32 g/mol. Its IUPAC name is N'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111047873
Molecular FormulaC16H27IN4O2
Molecular Weight434.32 g/mol
Exact Mass434.12
IUPAC NameN'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCN(C)CCOc1cccc(C/N=C(\N)N2CCOCC2)c1.I
InChIInChI=1S/C16H26N4O2.HI/c1-19(2)6-11-22-15-5-3-4-14(12-15)13-18-16(17)20-7-9-21-10-8-20;/h3-5,12H,6-11,13H2,1-2H3,(H2,17,18);1H
InChIKeyKEPDMQCLXVJPMB-UHFFFAOYSA-N
XLogP1.39
TPSA63.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;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

N'-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111099549
N'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide
CID 111049500
N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide
CID 111047716
1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide
CID 110029855
N'-[(3-butoxyphenyl)methyl]piperidine-1-carboximidamide
CID 111049546
1-cyclopropyl-1-methyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110030640
2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111047882
N'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111100994
N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044863
2-[3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 111047854
2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111936097
2-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111099575

Frequently Asked Questions

What is the IUPAC name of N'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide (CID 111047873) is N'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide is CN(C)CCOc1cccc(C/N=C(\N)N2CCOCC2)c1.I.
What is the InChIKey of N'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is KEPDMQCLXVJPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2.HI/c1-19(2)6-11-22-15-5-3-4-14(12-15)13-18-16(17)20-7-9-21-10-8-20;/h3-5,12H,6-11,13H2,1-2H3,(H2,17,18);1H.
What are the key properties of N'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 434.32 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111047873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).