2-[[(cyclohexylamino)-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C21H42IN5O2 — CID 111365468

IUPAC2-[[(cyclohexylamino)-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCC(C)CC(CN/C(=N\CC(=O)N(C)C)NC1CCCCC1)N1CCOCC1.I
InChIInChI=1S/C21H41N5O2.HI/c1-17(2)14-19(26-10-12-28-13-11-26)15-22-21(23-16-20(27)25(3)4)24-18-8-6-5-7-9-18;/h17-19H,5-16H2,1-4H3,(H2,22,23,24);1H
InChIKeyQNRYJFIRFIPGFA-UHFFFAOYSA-N
MW523.50 g/mol
LogP2.31
Rot. Bonds8

About 2-[[(cyclohexylamino)-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[(cyclohexylamino)-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 111365468) has the molecular formula C21H42IN5O2 and a molecular weight of 523.50 g/mol. Its IUPAC name is 2-[[(cyclohexylamino)-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[(cyclohexylamino)-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID111365468
Molecular FormulaC21H42IN5O2
Molecular Weight523.50 g/mol
Exact Mass523.24
IUPAC Name2-[[(cyclohexylamino)-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCC(C)CC(CN/C(=N\CC(=O)N(C)C)NC1CCCCC1)N1CCOCC1.I
InChIInChI=1S/C21H41N5O2.HI/c1-17(2)14-19(26-10-12-28-13-11-26)15-22-21(23-16-20(27)25(3)4)24-18-8-6-5-7-9-18;/h17-19H,5-16H2,1-4H3,(H2,22,23,24);1H
InChIKeyQNRYJFIRFIPGFA-UHFFFAOYSA-N
XLogP2.31
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.50
LogP ≤ 52.31
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[[(cyclohexylamino)-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide with MolForge

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Related Compounds

2-[[(cyclohexylamino)-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111364475
1-cyclohexyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 110959205
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
N,N-dimethyl-2-[[[(4-methyl-2-morpholin-4-ylpentyl)amino]-(2-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111751700
2-[[(cyclopentylamino)-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111841675
2-[[(cyclohexylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115662
2-[[(cyclopentylamino)-(3-methylbutylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111494906
N,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 110048914
N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide
CID 110039537
2-[[(cyclopentylamino)-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111841779
2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 91648163

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclohexylamino)-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[(cyclohexylamino)-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 111365468) is 2-[[(cyclohexylamino)-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[(cyclohexylamino)-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[(cyclohexylamino)-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CC(C)CC(CN/C(=N\CC(=O)N(C)C)NC1CCCCC1)N1CCOCC1.I.
What is the InChIKey of 2-[[(cyclohexylamino)-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is QNRYJFIRFIPGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N5O2.HI/c1-17(2)14-19(26-10-12-28-13-11-26)15-22-21(23-16-20(27)25(3)4)24-18-8-6-5-7-9-18;/h17-19H,5-16H2,1-4H3,(H2,22,23,24);1H.
What are the key properties of 2-[[(cyclohexylamino)-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[(cyclohexylamino)-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 523.50 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclohexylamino)-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 111365468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).