N-cyclohexyl-1-thiophen-2-ylethanimine

C12H17NS — CID 11830624

IUPACN-cyclohexyl-1-thiophen-2-ylethanimine
SMILESC/C(=N\C1CCCCC1)c1cccs1
InChIInChI=1S/C12H17NS/c1-10(12-8-5-9-14-12)13-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7H2,1H3/b13-10+
InChIKeyPSADJNJZDNNTME-JLHYYAGUSA-N
MW207.34 g/mol
LogP3.89
Rot. Bonds2

About N-cyclohexyl-1-thiophen-2-ylethanimine

N-cyclohexyl-1-thiophen-2-ylethanimine (PubChem CID 11830624) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is N-cyclohexyl-1-thiophen-2-ylethanimine.

Molecular Properties

Compound NameN-cyclohexyl-1-thiophen-2-ylethanimine
PubChem CID11830624
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC NameN-cyclohexyl-1-thiophen-2-ylethanimine
SMILESC/C(=N\C1CCCCC1)c1cccs1
InChIInChI=1S/C12H17NS/c1-10(12-8-5-9-14-12)13-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7H2,1H3/b13-10+
InChIKeyPSADJNJZDNNTME-JLHYYAGUSA-N
XLogP3.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-thiophen-2-ylethanimine?
The IUPAC name of N-cyclohexyl-1-thiophen-2-ylethanimine (CID 11830624) is N-cyclohexyl-1-thiophen-2-ylethanimine.
What is the SMILES notation for N-cyclohexyl-1-thiophen-2-ylethanimine?
The canonical SMILES for N-cyclohexyl-1-thiophen-2-ylethanimine is C/C(=N\C1CCCCC1)c1cccs1.
What is the InChIKey of N-cyclohexyl-1-thiophen-2-ylethanimine?
The InChIKey is PSADJNJZDNNTME-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H17NS/c1-10(12-8-5-9-14-12)13-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7H2,1H3/b13-10+.
What are the key properties of N-cyclohexyl-1-thiophen-2-ylethanimine?
N-cyclohexyl-1-thiophen-2-ylethanimine has a molecular weight of 207.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-thiophen-2-ylethanimine is sourced from PubChem (CID 11830624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).