N,4-dimethyl-3-thiophen-2-ylcyclohexan-1-amine

C12H19NS — CID 165491959

IUPACN,4-dimethyl-3-thiophen-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C)C(c2cccs2)C1
InChIInChI=1S/C12H19NS/c1-9-5-6-10(13-2)8-11(9)12-4-3-7-14-12/h3-4,7,9-11,13H,5-6,8H2,1-2H3
InChIKeyARQFAMGZFQEVKZ-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.24
Rot. Bonds2

About N,4-dimethyl-3-thiophen-2-ylcyclohexan-1-amine

N,4-dimethyl-3-thiophen-2-ylcyclohexan-1-amine (PubChem CID 165491959) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N,4-dimethyl-3-thiophen-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-3-thiophen-2-ylcyclohexan-1-amine
PubChem CID165491959
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN,4-dimethyl-3-thiophen-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C)C(c2cccs2)C1
InChIInChI=1S/C12H19NS/c1-9-5-6-10(13-2)8-11(9)12-4-3-7-14-12/h3-4,7,9-11,13H,5-6,8H2,1-2H3
InChIKeyARQFAMGZFQEVKZ-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-thiophen-2-ylcyclohexan-1-amine?
The IUPAC name of N,4-dimethyl-3-thiophen-2-ylcyclohexan-1-amine (CID 165491959) is N,4-dimethyl-3-thiophen-2-ylcyclohexan-1-amine.
What is the SMILES notation for N,4-dimethyl-3-thiophen-2-ylcyclohexan-1-amine?
The canonical SMILES for N,4-dimethyl-3-thiophen-2-ylcyclohexan-1-amine is CNC1CCC(C)C(c2cccs2)C1.
What is the InChIKey of N,4-dimethyl-3-thiophen-2-ylcyclohexan-1-amine?
The InChIKey is ARQFAMGZFQEVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-9-5-6-10(13-2)8-11(9)12-4-3-7-14-12/h3-4,7,9-11,13H,5-6,8H2,1-2H3.
What are the key properties of N,4-dimethyl-3-thiophen-2-ylcyclohexan-1-amine?
N,4-dimethyl-3-thiophen-2-ylcyclohexan-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-thiophen-2-ylcyclohexan-1-amine is sourced from PubChem (CID 165491959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).