[5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methylidenecyanamide

C16H15N3O — CID 20701846

IUPAC[5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methylidenecyanamide
SMILESCc1cc(C)c(/N=C/c2ccc(/C=N/C#N)o2)c(C)c1
InChIInChI=1S/C16H15N3O/c1-11-6-12(2)16(13(3)7-11)19-9-15-5-4-14(20-15)8-18-10-17/h4-9H,1-3H3/b18-8+,19-9+
InChIKeyKUAZBFSDWKBYSA-GCBPPVMSSA-N
MW265.32 g/mol
LogP3.86
Rot. Bonds3

About [5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methylidenecyanamide

[5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methylidenecyanamide (PubChem CID 20701846) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is [5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methylidenecyanamide.

Molecular Properties

Compound Name[5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methylidenecyanamide
PubChem CID20701846
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name[5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methylidenecyanamide
SMILESCc1cc(C)c(/N=C/c2ccc(/C=N/C#N)o2)c(C)c1
InChIInChI=1S/C16H15N3O/c1-11-6-12(2)16(13(3)7-11)19-9-15-5-4-14(20-15)8-18-10-17/h4-9H,1-3H3/b18-8+,19-9+
InChIKeyKUAZBFSDWKBYSA-GCBPPVMSSA-N
XLogP3.86
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

dichloroiron;(E)-N-pyridin-2-yl-1-[5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methanimine
CID 20702025
1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
CID 18718632
N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine
CID 22968266
N-(2,4,6-trichlorophenyl)-1-[5-[(2,4,6-trichlorophenyl)iminomethyl]furan-2-yl]methanimine
CID 20701872
N,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline
CID 1378244
carbanide;iron(2+);N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 22968339
1-(5-methylfuran-2-yl)-N-(2,4,6-trichlorophenyl)methanimine
CID 2351279
dibromoiron;1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
CID 18718659
N-(2,4,6-trimethylphenyl)-3-trimethylsilylprop-2-yn-1-imine
CID 13101778
N,N'-bis(2,4,6-trimethylphenyl)methanimidamide
CID 3355627
dichloroiron;1-[5-[(4-methylphenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine
CID 20702065
1-(5-chlorofuran-2-yl)-N-(4-methylphenyl)methanimine
CID 14006827

Frequently Asked Questions

What is the IUPAC name of [5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methylidenecyanamide?
The IUPAC name of [5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methylidenecyanamide (CID 20701846) is [5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methylidenecyanamide.
What is the SMILES notation for [5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methylidenecyanamide?
The canonical SMILES for [5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methylidenecyanamide is Cc1cc(C)c(/N=C/c2ccc(/C=N/C#N)o2)c(C)c1.
What is the InChIKey of [5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methylidenecyanamide?
The InChIKey is KUAZBFSDWKBYSA-GCBPPVMSSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-6-12(2)16(13(3)7-11)19-9-15-5-4-14(20-15)8-18-10-17/h4-9H,1-3H3/b18-8+,19-9+.
What are the key properties of [5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methylidenecyanamide?
[5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methylidenecyanamide has a molecular weight of 265.32 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methylidenecyanamide is sourced from PubChem (CID 20701846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).