2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide

C16H34IN5O3 — CID 111658919

IUPAC2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide
SMILESCCCNC(=O)C/N=C(\NCC)NCC(C)(O)CN1CCOCC1.I
InChIInChI=1S/C16H33N5O3.HI/c1-4-6-18-14(22)11-19-15(17-5-2)20-12-16(3,23)13-21-7-9-24-10-8-21;/h23H,4-13H2,1-3H3,(H,18,22)(H2,17,19,20);1H
InChIKeyLWRLNFXCRWEVOE-UHFFFAOYSA-N
MW471.38 g/mol
LogP-0.23
Rot. Bonds9

About 2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide

2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide (PubChem CID 111658919) has the molecular formula C16H34IN5O3 and a molecular weight of 471.38 g/mol. Its IUPAC name is 2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide
PubChem CID111658919
Molecular FormulaC16H34IN5O3
Molecular Weight471.38 g/mol
Exact Mass471.17
IUPAC Name2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide
SMILESCCCNC(=O)C/N=C(\NCC)NCC(C)(O)CN1CCOCC1.I
InChIInChI=1S/C16H33N5O3.HI/c1-4-6-18-14(22)11-19-15(17-5-2)20-12-16(3,23)13-21-7-9-24-10-8-21;/h23H,4-13H2,1-3H3,(H,18,22)(H2,17,19,20);1H
InChIKeyLWRLNFXCRWEVOE-UHFFFAOYSA-N
XLogP-0.23
TPSA98.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.38
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111658287
2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111658067
2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide
CID 110972655
2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-pyridin-3-ylacetamide
CID 111658948
2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111658267
N-tert-butyl-2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111187528
2-[[ethylamino-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111321149
methyl N-[4-[[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]carbamate;hydroiodide
CID 111657355
N,N-diethyl-4-[[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111658993
2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111931131
N-tert-butyl-2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 110972314
2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-propylacetamide
CID 111936645

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide (CID 111658919) is 2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide is CCCNC(=O)C/N=C(\NCC)NCC(C)(O)CN1CCOCC1.I.
What is the InChIKey of 2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide?
The InChIKey is LWRLNFXCRWEVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5O3.HI/c1-4-6-18-14(22)11-19-15(17-5-2)20-12-16(3,23)13-21-7-9-24-10-8-21;/h23H,4-13H2,1-3H3,(H,18,22)(H2,17,19,20);1H.
What are the key properties of 2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide?
2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide has a molecular weight of 471.38 g/mol, XLogP of -0.23, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide is sourced from PubChem (CID 111658919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).