N-cyclohexyl-1-[5-(N-cyclohexyl-C-methylcarbonimidoyl)thiophen-2-yl]ethanimine

C20H30N2S — CID 22968280

IUPACN-cyclohexyl-1-[5-(N-cyclohexyl-C-methylcarbonimidoyl)thiophen-2-yl]ethanimine
SMILESC/C(=N\C1CCCCC1)c1ccc(/C(C)=N/C2CCCCC2)s1
InChIInChI=1S/C20H30N2S/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/h13-14,17-18H,3-12H2,1-2H3/b21-15+,22-16+
InChIKeyAWWUBCJACZMVGK-YHARCJFQSA-N
MW330.54 g/mol
LogP6.03
Rot. Bonds4

About N-cyclohexyl-1-[5-(N-cyclohexyl-C-methylcarbonimidoyl)thiophen-2-yl]ethanimine

N-cyclohexyl-1-[5-(N-cyclohexyl-C-methylcarbonimidoyl)thiophen-2-yl]ethanimine (PubChem CID 22968280) has the molecular formula C20H30N2S and a molecular weight of 330.54 g/mol. Its IUPAC name is N-cyclohexyl-1-[5-(N-cyclohexyl-C-methylcarbonimidoyl)thiophen-2-yl]ethanimine.

Molecular Properties

Compound NameN-cyclohexyl-1-[5-(N-cyclohexyl-C-methylcarbonimidoyl)thiophen-2-yl]ethanimine
PubChem CID22968280
Molecular FormulaC20H30N2S
Molecular Weight330.54 g/mol
Exact Mass330.21
IUPAC NameN-cyclohexyl-1-[5-(N-cyclohexyl-C-methylcarbonimidoyl)thiophen-2-yl]ethanimine
SMILESC/C(=N\C1CCCCC1)c1ccc(/C(C)=N/C2CCCCC2)s1
InChIInChI=1S/C20H30N2S/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/h13-14,17-18H,3-12H2,1-2H3/b21-15+,22-16+
InChIKeyAWWUBCJACZMVGK-YHARCJFQSA-N
XLogP6.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.54
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[5-(N-cyclohexyl-C-methylcarbonimidoyl)thiophen-2-yl]ethanimine?
The IUPAC name of N-cyclohexyl-1-[5-(N-cyclohexyl-C-methylcarbonimidoyl)thiophen-2-yl]ethanimine (CID 22968280) is N-cyclohexyl-1-[5-(N-cyclohexyl-C-methylcarbonimidoyl)thiophen-2-yl]ethanimine.
What is the SMILES notation for N-cyclohexyl-1-[5-(N-cyclohexyl-C-methylcarbonimidoyl)thiophen-2-yl]ethanimine?
The canonical SMILES for N-cyclohexyl-1-[5-(N-cyclohexyl-C-methylcarbonimidoyl)thiophen-2-yl]ethanimine is C/C(=N\C1CCCCC1)c1ccc(/C(C)=N/C2CCCCC2)s1.
What is the InChIKey of N-cyclohexyl-1-[5-(N-cyclohexyl-C-methylcarbonimidoyl)thiophen-2-yl]ethanimine?
The InChIKey is AWWUBCJACZMVGK-YHARCJFQSA-N. The full InChI is InChI=1S/C20H30N2S/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/h13-14,17-18H,3-12H2,1-2H3/b21-15+,22-16+.
What are the key properties of N-cyclohexyl-1-[5-(N-cyclohexyl-C-methylcarbonimidoyl)thiophen-2-yl]ethanimine?
N-cyclohexyl-1-[5-(N-cyclohexyl-C-methylcarbonimidoyl)thiophen-2-yl]ethanimine has a molecular weight of 330.54 g/mol, XLogP of 6.03, 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-(N-cyclohexyl-C-methylcarbonimidoyl)thiophen-2-yl]ethanimine is sourced from PubChem (CID 22968280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).