N,N-dimethyl-2-[[[1-(5-methylfuran-2-yl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide;hydroiodide

C16H27IN4O2 — CID 111366424

IUPACN,N-dimethyl-2-[[[1-(5-methylfuran-2-yl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide;hydroiodide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NC(C)c1ccc(C)o1.I
InChIInChI=1S/C16H26N4O2.HI/c1-11(2)9-17-16(18-10-15(21)20(5)6)19-13(4)14-8-7-12(3)22-14;/h7-8,13H,1,9-10H2,2-6H3,(H2,17,18,19);1H
InChIKeyUTHNFENRFNDNDC-UHFFFAOYSA-N
MW434.32 g/mol
LogP2.47
Rot. Bonds6

About N,N-dimethyl-2-[[[1-(5-methylfuran-2-yl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide;hydroiodide

N,N-dimethyl-2-[[[1-(5-methylfuran-2-yl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide;hydroiodide (PubChem CID 111366424) has the molecular formula C16H27IN4O2 and a molecular weight of 434.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[1-(5-methylfuran-2-yl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[1-(5-methylfuran-2-yl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide;hydroiodide
PubChem CID111366424
Molecular FormulaC16H27IN4O2
Molecular Weight434.32 g/mol
Exact Mass434.12
IUPAC NameN,N-dimethyl-2-[[[1-(5-methylfuran-2-yl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide;hydroiodide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NC(C)c1ccc(C)o1.I
InChIInChI=1S/C16H26N4O2.HI/c1-11(2)9-17-16(18-10-15(21)20(5)6)19-13(4)14-8-7-12(3)22-14;/h7-8,13H,1,9-10H2,2-6H3,(H2,17,18,19);1H
InChIKeyUTHNFENRFNDNDC-UHFFFAOYSA-N
XLogP2.47
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[butylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111366459
2-[[[1-(2-bromophenyl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111322167
N,N-dimethyl-2-[[[3-(N-methylanilino)propylamino]-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111366460
N,N-dimethyl-2-[[[2-(4-methylphenyl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
CID 111622652
N,N-dimethyl-2-[[N-[1-(5-methylfuran-2-yl)ethyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111906982
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[1-(3-pyrrolidin-1-ylphenyl)ethylamino]methylidene]amino]acetamide
CID 110045555
2-[[(heptan-2-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111195440
N,N-dimethyl-2-[[[2-(2-methylphenoxy)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
CID 111503437
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(2-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111134136
2-[[(2-ethylbutylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111778777
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]acetamide;hydroiodide
CID 110044716
2-[[(cyclopent-3-en-1-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047202

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[1-(5-methylfuran-2-yl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N,N-dimethyl-2-[[[1-(5-methylfuran-2-yl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide;hydroiodide (CID 111366424) is N,N-dimethyl-2-[[[1-(5-methylfuran-2-yl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N,N-dimethyl-2-[[[1-(5-methylfuran-2-yl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N,N-dimethyl-2-[[[1-(5-methylfuran-2-yl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide;hydroiodide is C=C(C)CN/C(=N\CC(=O)N(C)C)NC(C)c1ccc(C)o1.I.
What is the InChIKey of N,N-dimethyl-2-[[[1-(5-methylfuran-2-yl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide;hydroiodide?
The InChIKey is UTHNFENRFNDNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2.HI/c1-11(2)9-17-16(18-10-15(21)20(5)6)19-13(4)14-8-7-12(3)22-14;/h7-8,13H,1,9-10H2,2-6H3,(H2,17,18,19);1H.
What are the key properties of N,N-dimethyl-2-[[[1-(5-methylfuran-2-yl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide;hydroiodide?
N,N-dimethyl-2-[[[1-(5-methylfuran-2-yl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide;hydroiodide has a molecular weight of 434.32 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[1-(5-methylfuran-2-yl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 111366424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).