3-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,5-dien-1-amine

C11H15NS — CID 174365536

IUPAC3-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,5-dien-1-amine
SMILESCC1=CCC(C2C=C(N)C=CC2)S1
InChIInChI=1S/C11H15NS/c1-8-5-6-11(13-8)9-3-2-4-10(12)7-9/h2,4-5,7,9,11H,3,6,12H2,1H3
InChIKeySYJUFLHMDJVWIP-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.81
Rot. Bonds1

About 3-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,5-dien-1-amine

3-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,5-dien-1-amine (PubChem CID 174365536) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 3-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name3-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,5-dien-1-amine
PubChem CID174365536
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name3-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,5-dien-1-amine
SMILESCC1=CCC(C2C=C(N)C=CC2)S1
InChIInChI=1S/C11H15NS/c1-8-5-6-11(13-8)9-3-2-4-10(12)7-9/h2,4-5,7,9,11H,3,6,12H2,1H3
InChIKeySYJUFLHMDJVWIP-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 3-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,5-dien-1-amine (CID 174365536) is 3-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 3-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 3-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,5-dien-1-amine is CC1=CCC(C2C=C(N)C=CC2)S1.
What is the InChIKey of 3-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,5-dien-1-amine?
The InChIKey is SYJUFLHMDJVWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-8-5-6-11(13-8)9-3-2-4-10(12)7-9/h2,4-5,7,9,11H,3,6,12H2,1H3.
What are the key properties of 3-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,5-dien-1-amine?
3-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,5-dien-1-amine has a molecular weight of 193.31 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 174365536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).