(E)-N-ethyl-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine

C9H19NS — CID 144748130

IUPAC(E)-N-ethyl-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine
SMILESCCN(C)C/C=C/SC(C)C
InChIInChI=1S/C9H19NS/c1-5-10(4)7-6-8-11-9(2)3/h6,8-9H,5,7H2,1-4H3/b8-6+
InChIKeyIIWUSQUOTZPLSD-SOFGYWHQSA-N
MW173.32 g/mol
LogP2.59
Rot. Bonds5

About (E)-N-ethyl-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine

(E)-N-ethyl-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine (PubChem CID 144748130) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is (E)-N-ethyl-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine
PubChem CID144748130
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name(E)-N-ethyl-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine
SMILESCCN(C)C/C=C/SC(C)C
InChIInChI=1S/C9H19NS/c1-5-10(4)7-6-8-11-9(2)3/h6,8-9H,5,7H2,1-4H3/b8-6+
InChIKeyIIWUSQUOTZPLSD-SOFGYWHQSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine?
The IUPAC name of (E)-N-ethyl-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine (CID 144748130) is (E)-N-ethyl-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine?
The canonical SMILES for (E)-N-ethyl-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine is CCN(C)C/C=C/SC(C)C.
What is the InChIKey of (E)-N-ethyl-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine?
The InChIKey is IIWUSQUOTZPLSD-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H19NS/c1-5-10(4)7-6-8-11-9(2)3/h6,8-9H,5,7H2,1-4H3/b8-6+.
What are the key properties of (E)-N-ethyl-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine?
(E)-N-ethyl-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine is sourced from PubChem (CID 144748130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).