N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine

C11H19NS — CID 143130123

IUPACN,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine
SMILESCSCCN(C)C1=CC=C(C)CC1
InChIInChI=1S/C11H19NS/c1-10-4-6-11(7-5-10)12(2)8-9-13-3/h4,6H,5,7-9H2,1-3H3
InChIKeyJZTQQCNQLJLRBK-UHFFFAOYSA-N
MW197.35 g/mol
LogP2.91
Rot. Bonds4

About N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine

N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 143130123) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine
PubChem CID143130123
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine
SMILESCSCCN(C)C1=CC=C(C)CC1
InChIInChI=1S/C11H19NS/c1-10-4-6-11(7-5-10)12(2)8-9-13-3/h4,6H,5,7-9H2,1-3H3
InChIKeyJZTQQCNQLJLRBK-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine (CID 143130123) is N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine is CSCCN(C)C1=CC=C(C)CC1.
What is the InChIKey of N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is JZTQQCNQLJLRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-10-4-6-11(7-5-10)12(2)8-9-13-3/h4,6H,5,7-9H2,1-3H3.
What are the key properties of N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine?
N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 197.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 143130123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).