4-[(5-methylthiophen-3-yl)methylidene]cyclohexan-1-amine

C12H17NS — CID 130558835

IUPAC4-[(5-methylthiophen-3-yl)methylidene]cyclohexan-1-amine
SMILESCc1cc(C=C2CCC(N)CC2)cs1
InChIInChI=1S/C12H17NS/c1-9-6-11(8-14-9)7-10-2-4-12(13)5-3-10/h6-8,12H,2-5,13H2,1H3/b10-7-
InChIKeyZMAGWSYWFFTDQL-YFHOEESVSA-N
MW207.34 g/mol
LogP3.34
Rot. Bonds1

About 4-[(5-methylthiophen-3-yl)methylidene]cyclohexan-1-amine

4-[(5-methylthiophen-3-yl)methylidene]cyclohexan-1-amine (PubChem CID 130558835) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 4-[(5-methylthiophen-3-yl)methylidene]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(5-methylthiophen-3-yl)methylidene]cyclohexan-1-amine
PubChem CID130558835
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name4-[(5-methylthiophen-3-yl)methylidene]cyclohexan-1-amine
SMILESCc1cc(C=C2CCC(N)CC2)cs1
InChIInChI=1S/C12H17NS/c1-9-6-11(8-14-9)7-10-2-4-12(13)5-3-10/h6-8,12H,2-5,13H2,1H3/b10-7-
InChIKeyZMAGWSYWFFTDQL-YFHOEESVSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylthiophen-3-yl)methylidene]cyclohexan-1-amine?
The IUPAC name of 4-[(5-methylthiophen-3-yl)methylidene]cyclohexan-1-amine (CID 130558835) is 4-[(5-methylthiophen-3-yl)methylidene]cyclohexan-1-amine.
What is the SMILES notation for 4-[(5-methylthiophen-3-yl)methylidene]cyclohexan-1-amine?
The canonical SMILES for 4-[(5-methylthiophen-3-yl)methylidene]cyclohexan-1-amine is Cc1cc(C=C2CCC(N)CC2)cs1.
What is the InChIKey of 4-[(5-methylthiophen-3-yl)methylidene]cyclohexan-1-amine?
The InChIKey is ZMAGWSYWFFTDQL-YFHOEESVSA-N. The full InChI is InChI=1S/C12H17NS/c1-9-6-11(8-14-9)7-10-2-4-12(13)5-3-10/h6-8,12H,2-5,13H2,1H3/b10-7-.
What are the key properties of 4-[(5-methylthiophen-3-yl)methylidene]cyclohexan-1-amine?
4-[(5-methylthiophen-3-yl)methylidene]cyclohexan-1-amine has a molecular weight of 207.34 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylthiophen-3-yl)methylidene]cyclohexan-1-amine is sourced from PubChem (CID 130558835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).