N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine

C20H24N2O — CID 20702004

IUPACN-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine
SMILESC/C(=N\c1ccccc1)c1ccc(/C(C)=N/C2CCCCC2)o1
InChIInChI=1S/C20H24N2O/c1-15(21-17-9-5-3-6-10-17)19-13-14-20(23-19)16(2)22-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,18H,4,7-8,11-12H2,1-2H3/b21-15+,22-16+
InChIKeyKUBFCUJPJDDCME-YHARCJFQSA-N
MW308.43 g/mol
LogP5.56
Rot. Bonds4

About N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine

N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine (PubChem CID 20702004) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine.

Molecular Properties

Compound NameN-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine
PubChem CID20702004
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine
SMILESC/C(=N\c1ccccc1)c1ccc(/C(C)=N/C2CCCCC2)o1
InChIInChI=1S/C20H24N2O/c1-15(21-17-9-5-3-6-10-17)19-13-14-20(23-19)16(2)22-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,18H,4,7-8,11-12H2,1-2H3/b21-15+,22-16+
InChIKeyKUBFCUJPJDDCME-YHARCJFQSA-N
XLogP5.56
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.43
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine;dichloroiron
CID 20702003
1-[3-(C-methyl-N-phenylcarbonimidoyl)-2-benzofuran-1-yl]-N-phenylethanimine
CID 90442429
2-bromo-N-cyclohexyl-1-phenylpropan-1-imine
CID 11087669
4-(N-cyclopentyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one
CID 135728402
N-amino-N'-cycloheptyl-5-methylfuran-2-carboximidamide
CID 61362940
cobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride
CID 173244063
1-cycloheptyl-1-methyl-2-phenylguanidine
CID 62364038
N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine
CID 20701710
2-(N-cyclohexyl-C-methylcarbonimidoyl)aniline;trifluoromethanesulfonic acid
CID 53349206
N-amino-N'-cycloheptyl-2-phenylethanimidamide
CID 61360529
2-cyclohexyl-1-phenylguanidine
CID 10900077
N'-cyclohexyl-N-phenylfuran-2-carboximidamide
CID 24838234

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine?
The IUPAC name of N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine (CID 20702004) is N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine.
What is the SMILES notation for N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine?
The canonical SMILES for N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine is C/C(=N\c1ccccc1)c1ccc(/C(C)=N/C2CCCCC2)o1.
What is the InChIKey of N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine?
The InChIKey is KUBFCUJPJDDCME-YHARCJFQSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15(21-17-9-5-3-6-10-17)19-13-14-20(23-19)16(2)22-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,18H,4,7-8,11-12H2,1-2H3/b21-15+,22-16+.
What are the key properties of N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine?
N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine has a molecular weight of 308.43 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine is sourced from PubChem (CID 20702004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).