(6-ethyl-4-ethylsulfanylcyclohexa-2,4-dien-1-yl)methanamine

C11H19NS — CID 134320290

IUPAC(6-ethyl-4-ethylsulfanylcyclohexa-2,4-dien-1-yl)methanamine
SMILESCCSC1=CC(CC)C(CN)C=C1
InChIInChI=1S/C11H19NS/c1-3-9-7-11(13-4-2)6-5-10(9)8-12/h5-7,9-10H,3-4,8,12H2,1-2H3
InChIKeyKGEMWEYOWZWGTE-UHFFFAOYSA-N
MW197.35 g/mol
LogP2.79
Rot. Bonds4

About (6-ethyl-4-ethylsulfanylcyclohexa-2,4-dien-1-yl)methanamine

(6-ethyl-4-ethylsulfanylcyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 134320290) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is (6-ethyl-4-ethylsulfanylcyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound Name(6-ethyl-4-ethylsulfanylcyclohexa-2,4-dien-1-yl)methanamine
PubChem CID134320290
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name(6-ethyl-4-ethylsulfanylcyclohexa-2,4-dien-1-yl)methanamine
SMILESCCSC1=CC(CC)C(CN)C=C1
InChIInChI=1S/C11H19NS/c1-3-9-7-11(13-4-2)6-5-10(9)8-12/h5-7,9-10H,3-4,8,12H2,1-2H3
InChIKeyKGEMWEYOWZWGTE-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-4-ethylsulfanylcyclohexa-2,4-dien-1-yl)methanamine?
The IUPAC name of (6-ethyl-4-ethylsulfanylcyclohexa-2,4-dien-1-yl)methanamine (CID 134320290) is (6-ethyl-4-ethylsulfanylcyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for (6-ethyl-4-ethylsulfanylcyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for (6-ethyl-4-ethylsulfanylcyclohexa-2,4-dien-1-yl)methanamine is CCSC1=CC(CC)C(CN)C=C1.
What is the InChIKey of (6-ethyl-4-ethylsulfanylcyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is KGEMWEYOWZWGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-3-9-7-11(13-4-2)6-5-10(9)8-12/h5-7,9-10H,3-4,8,12H2,1-2H3.
What are the key properties of (6-ethyl-4-ethylsulfanylcyclohexa-2,4-dien-1-yl)methanamine?
(6-ethyl-4-ethylsulfanylcyclohexa-2,4-dien-1-yl)methanamine has a molecular weight of 197.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-4-ethylsulfanylcyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 134320290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).