N-(2,6-dimethylcyclohexyl)thiophen-3-amine

C12H19NS — CID 66349919

IUPACN-(2,6-dimethylcyclohexyl)thiophen-3-amine
SMILESCC1CCCC(C)C1Nc1ccsc1
InChIInChI=1S/C12H19NS/c1-9-4-3-5-10(2)12(9)13-11-6-7-14-8-11/h6-10,12-13H,3-5H2,1-2H3
InChIKeyVKLUSIQBJSTFFR-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.98
Rot. Bonds2

About N-(2,6-dimethylcyclohexyl)thiophen-3-amine

N-(2,6-dimethylcyclohexyl)thiophen-3-amine (PubChem CID 66349919) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)thiophen-3-amine.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)thiophen-3-amine
PubChem CID66349919
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-(2,6-dimethylcyclohexyl)thiophen-3-amine
SMILESCC1CCCC(C)C1Nc1ccsc1
InChIInChI=1S/C12H19NS/c1-9-4-3-5-10(2)12(9)13-11-6-7-14-8-11/h6-10,12-13H,3-5H2,1-2H3
InChIKeyVKLUSIQBJSTFFR-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)thiophen-3-amine?
The IUPAC name of N-(2,6-dimethylcyclohexyl)thiophen-3-amine (CID 66349919) is N-(2,6-dimethylcyclohexyl)thiophen-3-amine.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)thiophen-3-amine?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)thiophen-3-amine is CC1CCCC(C)C1Nc1ccsc1.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)thiophen-3-amine?
The InChIKey is VKLUSIQBJSTFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-9-4-3-5-10(2)12(9)13-11-6-7-14-8-11/h6-10,12-13H,3-5H2,1-2H3.
What are the key properties of N-(2,6-dimethylcyclohexyl)thiophen-3-amine?
N-(2,6-dimethylcyclohexyl)thiophen-3-amine has a molecular weight of 209.36 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)thiophen-3-amine is sourced from PubChem (CID 66349919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).