2-[[(hexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide

C19H32N4O — CID 111539178

IUPAC2-[[(hexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCCCN/C(=N\CC(=O)N(C)C)NCCc1ccccc1
InChIInChI=1S/C19H32N4O/c1-4-5-6-10-14-20-19(22-16-18(24)23(2)3)21-15-13-17-11-8-7-9-12-17/h7-9,11-12H,4-6,10,13-16H2,1-3H3,(H2,20,21,22)
InChIKeyFBIATBUSZVPJQZ-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.43
Rot. Bonds10

About 2-[[(hexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[(hexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111539178) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-[[(hexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(hexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111539178
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name2-[[(hexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCCCN/C(=N\CC(=O)N(C)C)NCCc1ccccc1
InChIInChI=1S/C19H32N4O/c1-4-5-6-10-14-20-19(22-16-18(24)23(2)3)21-15-13-17-11-8-7-9-12-17/h7-9,11-12H,4-6,10,13-16H2,1-3H3,(H2,20,21,22)
InChIKeyFBIATBUSZVPJQZ-UHFFFAOYSA-N
XLogP2.43
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111136005
2-[[(3-fluoropropylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110033419
2-[[[2-(4-methoxyphenyl)ethylamino]-(pentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111538212
N,N-dimethyl-2-[[(2-phenylethylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide;hydroiodide
CID 110035262
2-[[(2-ethoxyethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751604
N,N-dimethyl-2-[[(pentylamino)-(2-phenylsulfanylethylamino)methylidene]amino]acetamide
CID 111765955
2-[[[2-(2-chlorophenyl)ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111751609
N,N-dimethyl-2-[[(2-phenylethylamino)-(prop-2-enylamino)methylidene]amino]acetamide
CID 111134445
2-[[(hexylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111767530
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(2-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111134136
2-[[butylamino-[2-(3,5-dimethylphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111649584
2-[[(3-cyclohexyloxypropylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751590

Frequently Asked Questions

What is the IUPAC name of 2-[[(hexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(hexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111539178) is 2-[[(hexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(hexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(hexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide is CCCCCCN/C(=N\CC(=O)N(C)C)NCCc1ccccc1.
What is the InChIKey of 2-[[(hexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is FBIATBUSZVPJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-4-5-6-10-14-20-19(22-16-18(24)23(2)3)21-15-13-17-11-8-7-9-12-17/h7-9,11-12H,4-6,10,13-16H2,1-3H3,(H2,20,21,22).
What are the key properties of 2-[[(hexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(hexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 332.49 g/mol, XLogP of 2.43, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(hexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111539178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).