2-[[(cyclohexylamino)-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide

C22H43N5O2 — CID 111364475

IUPAC2-[[(cyclohexylamino)-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(CC)C(CN/C(=N\CC(=O)N(C)C)NC1CCCCC1)N1CCOCC1
InChIInChI=1S/C22H43N5O2/c1-5-18(6-2)20(27-12-14-29-15-13-27)16-23-22(24-17-21(28)26(3)4)25-19-10-8-7-9-11-19/h18-20H,5-17H2,1-4H3,(H2,23,24,25)
InChIKeyUWTGQLAXUOMSAV-UHFFFAOYSA-N
MW409.62 g/mol
LogP2.08
Rot. Bonds9

About 2-[[(cyclohexylamino)-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide

2-[[(cyclohexylamino)-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111364475) has the molecular formula C22H43N5O2 and a molecular weight of 409.62 g/mol. Its IUPAC name is 2-[[(cyclohexylamino)-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclohexylamino)-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID111364475
Molecular FormulaC22H43N5O2
Molecular Weight409.62 g/mol
Exact Mass409.34
IUPAC Name2-[[(cyclohexylamino)-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(CC)C(CN/C(=N\CC(=O)N(C)C)NC1CCCCC1)N1CCOCC1
InChIInChI=1S/C22H43N5O2/c1-5-18(6-2)20(27-12-14-29-15-13-27)16-23-22(24-17-21(28)26(3)4)25-19-10-8-7-9-11-19/h18-20H,5-17H2,1-4H3,(H2,23,24,25)
InChIKeyUWTGQLAXUOMSAV-UHFFFAOYSA-N
XLogP2.08
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.62
LogP ≤ 52.08
H-Bond Donors ≤ 52
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

2-[[(cyclohexylamino)-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365468
2-[[(cyclopentylamino)-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111841665
2-[[(cyclopentylamino)-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111841624
2-[[(cyclopentylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111841675
ethyl 4-[[N-(3-ethyl-2-morpholin-4-ylpentyl)-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111330239
3-[[N-(3-ethyl-2-morpholin-4-ylpentyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylpropanamide
CID 111936273
2-[[(cyclohexylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115662
2-[[butylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364860
2-[[butylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111364861
2-[[(cyclopentylamino)-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111841779
2-[[(cyclohexylmethylamino)-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110039619
2-[[(cyclopentylamino)-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111841034

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclohexylamino)-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclohexylamino)-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide (CID 111364475) is 2-[[(cyclohexylamino)-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclohexylamino)-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclohexylamino)-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide is CCC(CC)C(CN/C(=N\CC(=O)N(C)C)NC1CCCCC1)N1CCOCC1.
What is the InChIKey of 2-[[(cyclohexylamino)-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is UWTGQLAXUOMSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N5O2/c1-5-18(6-2)20(27-12-14-29-15-13-27)16-23-22(24-17-21(28)26(3)4)25-19-10-8-7-9-11-19/h18-20H,5-17H2,1-4H3,(H2,23,24,25).
What are the key properties of 2-[[(cyclohexylamino)-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclohexylamino)-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 409.62 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclohexylamino)-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111364475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).