N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine

C18H26N2S — CID 15443759

IUPACN-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine
SMILESC(=N/C1CCCCC1)\c1ccc(/C=N/C2CCCCC2)s1
InChIInChI=1S/C18H26N2S/c1-3-7-15(8-4-1)19-13-17-11-12-18(21-17)14-20-16-9-5-2-6-10-16/h11-16H,1-10H2/b19-13+,20-14+
InChIKeyHKJCQMHWORINQB-IWGRKNQJSA-N
MW302.49 g/mol
LogP5.25
Rot. Bonds4

About N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine

N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine (PubChem CID 15443759) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine.

Molecular Properties

Compound NameN-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine
PubChem CID15443759
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine
SMILESC(=N/C1CCCCC1)\c1ccc(/C=N/C2CCCCC2)s1
InChIInChI=1S/C18H26N2S/c1-3-7-15(8-4-1)19-13-17-11-12-18(21-17)14-20-16-9-5-2-6-10-16/h11-16H,1-10H2/b19-13+,20-14+
InChIKeyHKJCQMHWORINQB-IWGRKNQJSA-N
XLogP5.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.49
LogP ≤ 55.25
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-(cyclohexyliminomethyl)thiophen-2-yl]methanimine?
The IUPAC name of N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine (CID 15443759) is N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine.
What is the SMILES notation for N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine?
The canonical SMILES for N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine is C(=N/C1CCCCC1)\c1ccc(/C=N/C2CCCCC2)s1.
What is the InChIKey of N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine?
The InChIKey is HKJCQMHWORINQB-IWGRKNQJSA-N. The full InChI is InChI=1S/C18H26N2S/c1-3-7-15(8-4-1)19-13-17-11-12-18(21-17)14-20-16-9-5-2-6-10-16/h11-16H,1-10H2/b19-13+,20-14+.
What are the key properties of N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine?
N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine has a molecular weight of 302.49 g/mol, XLogP of 5.25, 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-(cyclohexyliminomethyl)thiophen-2-yl]methanimine is sourced from PubChem (CID 15443759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).