N,N,4-triethyl-3-methylthiophen-2-amine

C11H19NS — CID 165357130

IUPACN,N,4-triethyl-3-methylthiophen-2-amine
SMILESCCc1csc(N(CC)CC)c1C
InChIInChI=1S/C11H19NS/c1-5-10-8-13-11(9(10)4)12(6-2)7-3/h8H,5-7H2,1-4H3
InChIKeyCCJZQGASHPUMHC-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.47
Rot. Bonds4

About N,N,4-triethyl-3-methylthiophen-2-amine

N,N,4-triethyl-3-methylthiophen-2-amine (PubChem CID 165357130) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N,N,4-triethyl-3-methylthiophen-2-amine.

Molecular Properties

Compound NameN,N,4-triethyl-3-methylthiophen-2-amine
PubChem CID165357130
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN,N,4-triethyl-3-methylthiophen-2-amine
SMILESCCc1csc(N(CC)CC)c1C
InChIInChI=1S/C11H19NS/c1-5-10-8-13-11(9(10)4)12(6-2)7-3/h8H,5-7H2,1-4H3
InChIKeyCCJZQGASHPUMHC-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,4-triethyl-3-methylthiophen-2-amine?
The IUPAC name of N,N,4-triethyl-3-methylthiophen-2-amine (CID 165357130) is N,N,4-triethyl-3-methylthiophen-2-amine.
What is the SMILES notation for N,N,4-triethyl-3-methylthiophen-2-amine?
The canonical SMILES for N,N,4-triethyl-3-methylthiophen-2-amine is CCc1csc(N(CC)CC)c1C.
What is the InChIKey of N,N,4-triethyl-3-methylthiophen-2-amine?
The InChIKey is CCJZQGASHPUMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-5-10-8-13-11(9(10)4)12(6-2)7-3/h8H,5-7H2,1-4H3.
What are the key properties of N,N,4-triethyl-3-methylthiophen-2-amine?
N,N,4-triethyl-3-methylthiophen-2-amine has a molecular weight of 197.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-triethyl-3-methylthiophen-2-amine is sourced from PubChem (CID 165357130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).