N-ethyl-N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-methylphenyl)morpholine-4-carboximidamide

C24H41N5O — CID 109480679

IUPACN-ethyl-N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESCCN/C(=N\CC(C)CN1CCN(CC)CC1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C24H41N5O/c1-5-25-24(26-17-20(3)18-28-13-11-27(6-2)12-14-28)29-15-16-30-23(19-29)22-10-8-7-9-21(22)4/h7-10,20,23H,5-6,11-19H2,1-4H3,(H,25,26)
InChIKeyJNDHWZKNXSIGOO-UHFFFAOYSA-N
MW415.63 g/mol
LogP2.61
Rot. Bonds7

About N-ethyl-N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-methylphenyl)morpholine-4-carboximidamide

N-ethyl-N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-methylphenyl)morpholine-4-carboximidamide (PubChem CID 109480679) has the molecular formula C24H41N5O and a molecular weight of 415.63 g/mol. Its IUPAC name is N-ethyl-N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-methylphenyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
PubChem CID109480679
Molecular FormulaC24H41N5O
Molecular Weight415.63 g/mol
Exact Mass415.33
IUPAC NameN-ethyl-N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESCCN/C(=N\CC(C)CN1CCN(CC)CC1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C24H41N5O/c1-5-25-24(26-17-20(3)18-28-13-11-27(6-2)12-14-28)29-15-16-30-23(19-29)22-10-8-7-9-21(22)4/h7-10,20,23H,5-6,11-19H2,1-4H3,(H,25,26)
InChIKeyJNDHWZKNXSIGOO-UHFFFAOYSA-N
XLogP2.61
TPSA43.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.63
LogP ≤ 52.61
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'}

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Related Compounds

N-ethyl-N'-(3-hydroxy-2,2-dimethylpropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480503
N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479493
N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480544
N-[2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109480489
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481449
N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481277
3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N-propan-2-ylpropanamide
CID 109481577
N-ethyl-N'-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480370
3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-2,2-dimethylpropanamide
CID 109480378
N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479662
N-ethyl-N'-[2-(3-hydroxyphenyl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479510
N-ethyl-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481754

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-methylphenyl)morpholine-4-carboximidamide?
The IUPAC name of N-ethyl-N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-methylphenyl)morpholine-4-carboximidamide (CID 109480679) is N-ethyl-N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-methylphenyl)morpholine-4-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-methylphenyl)morpholine-4-carboximidamide?
The canonical SMILES for N-ethyl-N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-methylphenyl)morpholine-4-carboximidamide is CCN/C(=N\CC(C)CN1CCN(CC)CC1)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N-ethyl-N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-methylphenyl)morpholine-4-carboximidamide?
The InChIKey is JNDHWZKNXSIGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O/c1-5-25-24(26-17-20(3)18-28-13-11-27(6-2)12-14-28)29-15-16-30-23(19-29)22-10-8-7-9-21(22)4/h7-10,20,23H,5-6,11-19H2,1-4H3,(H,25,26).
What are the key properties of N-ethyl-N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-methylphenyl)morpholine-4-carboximidamide?
N-ethyl-N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-methylphenyl)morpholine-4-carboximidamide has a molecular weight of 415.63 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-methylphenyl)morpholine-4-carboximidamide is sourced from PubChem (CID 109480679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).