2-[[butylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide

C16H28N4O2 — CID 111366459

IUPAC2-[[butylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCN/C(=N\CC(=O)N(C)C)NC(C)c1ccc(C)o1
InChIInChI=1S/C16H28N4O2/c1-6-7-10-17-16(18-11-15(21)20(4)5)19-13(3)14-9-8-12(2)22-14/h8-9,13H,6-7,10-11H2,1-5H3,(H2,17,18,19)
InChIKeyDIFRDYWSHRKLOC-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.07
Rot. Bonds7

About 2-[[butylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide

2-[[butylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111366459) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[[butylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[butylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID111366459
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-[[butylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCN/C(=N\CC(=O)N(C)C)NC(C)c1ccc(C)o1
InChIInChI=1S/C16H28N4O2/c1-6-7-10-17-16(18-11-15(21)20(4)5)19-13(3)14-9-8-12(2)22-14/h8-9,13H,6-7,10-11H2,1-5H3,(H2,17,18,19)
InChIKeyDIFRDYWSHRKLOC-UHFFFAOYSA-N
XLogP2.07
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,N-dimethyl-2-[[[3-(N-methylanilino)propylamino]-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111366460
N,N-dimethyl-2-[[[1-(5-methylfuran-2-yl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 111366424
2-[[[1-(1-benzofuran-2-yl)ethylamino]-(butylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111378156
2-[[butylamino-[1-(3,4-difluorophenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111324190
N,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide
CID 111492430
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide
CID 110037267
2-[[(butan-2-ylamino)-(hexylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111545319
2-[[butylamino-(4-methylpentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364190
2-[[butylamino-[1-(3-pyrrolidin-1-ylphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110045544
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 110037266
2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111150712
2-[[butylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111354969

Frequently Asked Questions

What is the IUPAC name of 2-[[butylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[butylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide (CID 111366459) is 2-[[butylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[butylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[butylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide is CCCCN/C(=N\CC(=O)N(C)C)NC(C)c1ccc(C)o1.
What is the InChIKey of 2-[[butylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is DIFRDYWSHRKLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-6-7-10-17-16(18-11-15(21)20(4)5)19-13(3)14-9-8-12(2)22-14/h8-9,13H,6-7,10-11H2,1-5H3,(H2,17,18,19).
What are the key properties of 2-[[butylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
2-[[butylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 308.43 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111366459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).