N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide

C17H29IN4O — CID 111036077

IUPACN'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCCN(CC)Cc1ccc(C/N=C(\N)N2CCOCC2)cc1.I
InChIInChI=1S/C17H28N4O.HI/c1-3-20(4-2)14-16-7-5-15(6-8-16)13-19-17(18)21-9-11-22-12-10-21;/h5-8H,3-4,9-14H2,1-2H3,(H2,18,19);1H
InChIKeyGKRVTQPSSKPQLP-UHFFFAOYSA-N
MW432.35 g/mol
LogP2.29
Rot. Bonds6

About N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide

N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111036077) has the molecular formula C17H29IN4O and a molecular weight of 432.35 g/mol. Its IUPAC name is N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111036077
Molecular FormulaC17H29IN4O
Molecular Weight432.35 g/mol
Exact Mass432.14
IUPAC NameN'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCCN(CC)Cc1ccc(C/N=C(\N)N2CCOCC2)cc1.I
InChIInChI=1S/C17H28N4O.HI/c1-3-20(4-2)14-16-7-5-15(6-8-16)13-19-17(18)21-9-11-22-12-10-21;/h5-8H,3-4,9-14H2,1-2H3,(H2,18,19);1H
InChIKeyGKRVTQPSSKPQLP-UHFFFAOYSA-N
XLogP2.29
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 52.29
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'}

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Related Compounds

N'-[[4-(diethylaminomethyl)phenyl]methyl]thiomorpholine-4-carboximidamide
CID 111036128
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453
4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111040924
N'-[[4-(phenylmethoxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111053620
N'-[2-(diethylamino)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111022667
methyl 4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]benzoate
CID 111024014
N'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111051112
N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111808539
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111053453
4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide
CID 111070775
N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111063137
N'-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111752497

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide (CID 111036077) is N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide is CCN(CC)Cc1ccc(C/N=C(\N)N2CCOCC2)cc1.I.
What is the InChIKey of N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is GKRVTQPSSKPQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.HI/c1-3-20(4-2)14-16-7-5-15(6-8-16)13-19-17(18)21-9-11-22-12-10-21;/h5-8H,3-4,9-14H2,1-2H3,(H2,18,19);1H.
What are the key properties of N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 432.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111036077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).