[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]methanamine

C14H23NS — CID 81011696

IUPAC[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(c2ccc(C)s2)C1
InChIInChI=1S/C14H23NS/c1-3-11-5-6-12(9-15)13(8-11)14-7-4-10(2)16-14/h4,7,11-13H,3,5-6,8-9,15H2,1-2H3
InChIKeyMBUVMVUGOVNYIS-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.93
Rot. Bonds3

About [4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]methanamine

[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]methanamine (PubChem CID 81011696) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is [4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]methanamine
PubChem CID81011696
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(c2ccc(C)s2)C1
InChIInChI=1S/C14H23NS/c1-3-11-5-6-12(9-15)13(8-11)14-7-4-10(2)16-14/h4,7,11-13H,3,5-6,8-9,15H2,1-2H3
InChIKeyMBUVMVUGOVNYIS-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]methanamine (CID 81011696) is [4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]methanamine is CCC1CCC(CN)C(c2ccc(C)s2)C1.
What is the InChIKey of [4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]methanamine?
The InChIKey is MBUVMVUGOVNYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-3-11-5-6-12(9-15)13(8-11)14-7-4-10(2)16-14/h4,7,11-13H,3,5-6,8-9,15H2,1-2H3.
What are the key properties of [4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]methanamine?
[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]methanamine has a molecular weight of 237.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 81011696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).