(E)-N-ethyl-N-methyl-1-methylsulfanylpent-1-en-2-amine

C9H19NS — CID 155374212

IUPAC(E)-N-ethyl-N-methyl-1-methylsulfanylpent-1-en-2-amine
SMILESCCC/C(=C\SC)N(C)CC
InChIInChI=1S/C9H19NS/c1-5-7-9(8-11-4)10(3)6-2/h8H,5-7H2,1-4H3/b9-8+
InChIKeyUCVRHRYXWVQOJD-CMDGGOBGSA-N
MW173.32 g/mol
LogP2.94
Rot. Bonds5

About (E)-N-ethyl-N-methyl-1-methylsulfanylpent-1-en-2-amine

(E)-N-ethyl-N-methyl-1-methylsulfanylpent-1-en-2-amine (PubChem CID 155374212) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is (E)-N-ethyl-N-methyl-1-methylsulfanylpent-1-en-2-amine.

Molecular Properties

Compound Name(E)-N-ethyl-N-methyl-1-methylsulfanylpent-1-en-2-amine
PubChem CID155374212
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name(E)-N-ethyl-N-methyl-1-methylsulfanylpent-1-en-2-amine
SMILESCCC/C(=C\SC)N(C)CC
InChIInChI=1S/C9H19NS/c1-5-7-9(8-11-4)10(3)6-2/h8H,5-7H2,1-4H3/b9-8+
InChIKeyUCVRHRYXWVQOJD-CMDGGOBGSA-N
XLogP2.94
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 ≤ 52.94
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-1-methylsulfanylpent-1-en-2-amine?
The IUPAC name of (E)-N-ethyl-N-methyl-1-methylsulfanylpent-1-en-2-amine (CID 155374212) is (E)-N-ethyl-N-methyl-1-methylsulfanylpent-1-en-2-amine.
What is the SMILES notation for (E)-N-ethyl-N-methyl-1-methylsulfanylpent-1-en-2-amine?
The canonical SMILES for (E)-N-ethyl-N-methyl-1-methylsulfanylpent-1-en-2-amine is CCC/C(=C\SC)N(C)CC.
What is the InChIKey of (E)-N-ethyl-N-methyl-1-methylsulfanylpent-1-en-2-amine?
The InChIKey is UCVRHRYXWVQOJD-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H19NS/c1-5-7-9(8-11-4)10(3)6-2/h8H,5-7H2,1-4H3/b9-8+.
What are the key properties of (E)-N-ethyl-N-methyl-1-methylsulfanylpent-1-en-2-amine?
(E)-N-ethyl-N-methyl-1-methylsulfanylpent-1-en-2-amine has a molecular weight of 173.32 g/mol, XLogP of 2.94, 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-1-methylsulfanylpent-1-en-2-amine is sourced from PubChem (CID 155374212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).