N,N-dimethyl-1-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)ethanamine

C10H17NS — CID 134090138

IUPACN,N-dimethyl-1-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)ethanamine
SMILESCSC1=C(C(C)N(C)C)CC=C1
InChIInChI=1S/C10H17NS/c1-8(11(2)3)9-6-5-7-10(9)12-4/h5,7-8H,6H2,1-4H3
InChIKeyFJJRQATZBOPIFD-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.51
Rot. Bonds3

About N,N-dimethyl-1-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)ethanamine

N,N-dimethyl-1-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)ethanamine (PubChem CID 134090138) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)ethanamine
PubChem CID134090138
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC NameN,N-dimethyl-1-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)ethanamine
SMILESCSC1=C(C(C)N(C)C)CC=C1
InChIInChI=1S/C10H17NS/c1-8(11(2)3)9-6-5-7-10(9)12-4/h5,7-8H,6H2,1-4H3
InChIKeyFJJRQATZBOPIFD-UHFFFAOYSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-1-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)ethanamine (CID 134090138) is N,N-dimethyl-1-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-1-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-1-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)ethanamine is CSC1=C(C(C)N(C)C)CC=C1.
What is the InChIKey of N,N-dimethyl-1-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)ethanamine?
The InChIKey is FJJRQATZBOPIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-8(11(2)3)9-6-5-7-10(9)12-4/h5,7-8H,6H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)ethanamine?
N,N-dimethyl-1-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)ethanamine has a molecular weight of 183.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)ethanamine is sourced from PubChem (CID 134090138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).