N'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide

C15H27IN4OS — CID 75511956

IUPACN'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCCN(CC)C(C/N=C(\N)N1CCOCC1)c1ccsc1.I
InChIInChI=1S/C15H26N4OS.HI/c1-3-18(4-2)14(13-5-10-21-12-13)11-17-15(16)19-6-8-20-9-7-19;/h5,10,12,14H,3-4,6-9,11H2,1-2H3,(H2,16,17);1H
InChIKeyPJYCJRZTHMNFSC-UHFFFAOYSA-N
MW438.38 g/mol
LogP2.40
Rot. Bonds6

About N'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide

N'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 75511956) has the molecular formula C15H27IN4OS and a molecular weight of 438.38 g/mol. Its IUPAC name is N'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID75511956
Molecular FormulaC15H27IN4OS
Molecular Weight438.38 g/mol
Exact Mass438.10
IUPAC NameN'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCCN(CC)C(C/N=C(\N)N1CCOCC1)c1ccsc1.I
InChIInChI=1S/C15H26N4OS.HI/c1-3-18(4-2)14(13-5-10-21-12-13)11-17-15(16)19-6-8-20-9-7-19;/h5,10,12,14H,3-4,6-9,11H2,1-2H3,(H2,16,17);1H
InChIKeyPJYCJRZTHMNFSC-UHFFFAOYSA-N
XLogP2.40
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.38
LogP ≤ 52.40
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'}

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Related Compounds

2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,1-diethylguanidine;hydroiodide
CID 111054972
N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide
CID 111037502
2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971688
N'-(2-thiophen-3-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111758200
N'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 111823918
4-acetyl-N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylpiperazine-1-carboximidamide
CID 110962529
N'-[2-hydroxy-2-(4-methylphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111067391
N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111037535
N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-4-carboximidamide
CID 111029314
1-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 51953978
N'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide
CID 124536276
N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111036077

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide (CID 75511956) is N'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide is CCN(CC)C(C/N=C(\N)N1CCOCC1)c1ccsc1.I.
What is the InChIKey of N'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is PJYCJRZTHMNFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS.HI/c1-3-18(4-2)14(13-5-10-21-12-13)11-17-15(16)19-6-8-20-9-7-19;/h5,10,12,14H,3-4,6-9,11H2,1-2H3,(H2,16,17);1H.
What are the key properties of N'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide?
N'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 438.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 75511956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).