2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide

C15H31N5O2 — CID 110972655

IUPAC2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\NCC)NCCCN1CCOCC1
InChIInChI=1S/C15H31N5O2/c1-3-6-17-14(21)13-19-15(16-4-2)18-7-5-8-20-9-11-22-12-10-20/h3-13H2,1-2H3,(H,17,21)(H2,16,18,19)
InChIKeyRTUYXFUXXSLOAA-UHFFFAOYSA-N
MW313.45 g/mol
LogP-0.21
Rot. Bonds9

About 2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide

2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide (PubChem CID 110972655) has the molecular formula C15H31N5O2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide
PubChem CID110972655
Molecular FormulaC15H31N5O2
Molecular Weight313.45 g/mol
Exact Mass313.25
IUPAC Name2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\NCC)NCCCN1CCOCC1
InChIInChI=1S/C15H31N5O2/c1-3-6-17-14(21)13-19-15(16-4-2)18-7-5-8-20-9-11-22-12-10-20/h3-13H2,1-2H3,(H,17,21)(H2,16,18,19)
InChIKeyRTUYXFUXXSLOAA-UHFFFAOYSA-N
XLogP-0.21
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
CID 110972315
N-tert-butyl-2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 110972314
2-[[[3-(azepan-1-yl)propylamino]-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111324671
2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 110972239
N-tert-butyl-2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111187528
2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide
CID 111152104
2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111658919
2-methyl-1-(4-morpholin-4-ylbutyl)-3-propylguanidine
CID 111227293
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111161106
2-(cyclopropylmethyl)-1-ethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111870289
2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111931131

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide?
The IUPAC name of 2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide (CID 110972655) is 2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide?
The canonical SMILES for 2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide is CCCNC(=O)C/N=C(\NCC)NCCCN1CCOCC1.
What is the InChIKey of 2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide?
The InChIKey is RTUYXFUXXSLOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O2/c1-3-6-17-14(21)13-19-15(16-4-2)18-7-5-8-20-9-11-22-12-10-20/h3-13H2,1-2H3,(H,17,21)(H2,16,18,19).
What are the key properties of 2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide?
2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide has a molecular weight of 313.45 g/mol, XLogP of -0.21, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide is sourced from PubChem (CID 110972655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).