2-methyl-4-(4-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine

C12H17NS — CID 70974519

IUPAC2-methyl-4-(4-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine
SMILESCC1=CSC(C2=CCC(N)C(C)=C2)C1
InChIInChI=1S/C12H17NS/c1-8-5-12(14-7-8)10-3-4-11(13)9(2)6-10/h3,6-7,11-12H,4-5,13H2,1-2H3
InChIKeyUXGOLKXWFUKWBM-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.00
Rot. Bonds1

About 2-methyl-4-(4-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine

2-methyl-4-(4-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine (PubChem CID 70974519) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 2-methyl-4-(4-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-methyl-4-(4-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine
PubChem CID70974519
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name2-methyl-4-(4-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine
SMILESCC1=CSC(C2=CCC(N)C(C)=C2)C1
InChIInChI=1S/C12H17NS/c1-8-5-12(14-7-8)10-3-4-11(13)9(2)6-10/h3,6-7,11-12H,4-5,13H2,1-2H3
InChIKeyUXGOLKXWFUKWBM-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-(4-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-methyl-4-(4-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine (CID 70974519) is 2-methyl-4-(4-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-methyl-4-(4-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-methyl-4-(4-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine is CC1=CSC(C2=CCC(N)C(C)=C2)C1.
What is the InChIKey of 2-methyl-4-(4-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine?
The InChIKey is UXGOLKXWFUKWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-8-5-12(14-7-8)10-3-4-11(13)9(2)6-10/h3,6-7,11-12H,4-5,13H2,1-2H3.
What are the key properties of 2-methyl-4-(4-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine?
2-methyl-4-(4-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine has a molecular weight of 207.34 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70974519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).