2,6-dimethyl-6-methylsulfanylcyclohexa-2,4-dien-1-amine

C9H15NS — CID 67926745

IUPAC2,6-dimethyl-6-methylsulfanylcyclohexa-2,4-dien-1-amine
SMILESCSC1(C)C=CC=C(C)C1N
InChIInChI=1S/C9H15NS/c1-7-5-4-6-9(2,11-3)8(7)10/h4-6,8H,10H2,1-3H3
InChIKeyJMMQXGKNSUJZRT-UHFFFAOYSA-N
MW169.29 g/mol
LogP1.95
Rot. Bonds1

About 2,6-dimethyl-6-methylsulfanylcyclohexa-2,4-dien-1-amine

2,6-dimethyl-6-methylsulfanylcyclohexa-2,4-dien-1-amine (PubChem CID 67926745) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2,6-dimethyl-6-methylsulfanylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-6-methylsulfanylcyclohexa-2,4-dien-1-amine
PubChem CID67926745
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2,6-dimethyl-6-methylsulfanylcyclohexa-2,4-dien-1-amine
SMILESCSC1(C)C=CC=C(C)C1N
InChIInChI=1S/C9H15NS/c1-7-5-4-6-9(2,11-3)8(7)10/h4-6,8H,10H2,1-3H3
InChIKeyJMMQXGKNSUJZRT-UHFFFAOYSA-N
XLogP1.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-6-methylsulfanylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2,6-dimethyl-6-methylsulfanylcyclohexa-2,4-dien-1-amine (CID 67926745) is 2,6-dimethyl-6-methylsulfanylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2,6-dimethyl-6-methylsulfanylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2,6-dimethyl-6-methylsulfanylcyclohexa-2,4-dien-1-amine is CSC1(C)C=CC=C(C)C1N.
What is the InChIKey of 2,6-dimethyl-6-methylsulfanylcyclohexa-2,4-dien-1-amine?
The InChIKey is JMMQXGKNSUJZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-7-5-4-6-9(2,11-3)8(7)10/h4-6,8H,10H2,1-3H3.
What are the key properties of 2,6-dimethyl-6-methylsulfanylcyclohexa-2,4-dien-1-amine?
2,6-dimethyl-6-methylsulfanylcyclohexa-2,4-dien-1-amine has a molecular weight of 169.29 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-6-methylsulfanylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 67926745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).