(E)-N-ethyl-N-(2-methylsulfanylethyl)pent-2-en-2-amine

C10H21NS — CID 174137594

IUPAC(E)-N-ethyl-N-(2-methylsulfanylethyl)pent-2-en-2-amine
SMILESCC/C=C(\C)N(CC)CCSC
InChIInChI=1S/C10H21NS/c1-5-7-10(3)11(6-2)8-9-12-4/h7H,5-6,8-9H2,1-4H3/b10-7+
InChIKeyMHDJDHGLVWPQMD-JXMROGBWSA-N
MW187.35 g/mol
LogP2.99
Rot. Bonds6

About (E)-N-ethyl-N-(2-methylsulfanylethyl)pent-2-en-2-amine

(E)-N-ethyl-N-(2-methylsulfanylethyl)pent-2-en-2-amine (PubChem CID 174137594) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (E)-N-ethyl-N-(2-methylsulfanylethyl)pent-2-en-2-amine.

Molecular Properties

Compound Name(E)-N-ethyl-N-(2-methylsulfanylethyl)pent-2-en-2-amine
PubChem CID174137594
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(E)-N-ethyl-N-(2-methylsulfanylethyl)pent-2-en-2-amine
SMILESCC/C=C(\C)N(CC)CCSC
InChIInChI=1S/C10H21NS/c1-5-7-10(3)11(6-2)8-9-12-4/h7H,5-6,8-9H2,1-4H3/b10-7+
InChIKeyMHDJDHGLVWPQMD-JXMROGBWSA-N
XLogP2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.99
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-(2-methylsulfanylethyl)pent-2-en-2-amine?
The IUPAC name of (E)-N-ethyl-N-(2-methylsulfanylethyl)pent-2-en-2-amine (CID 174137594) is (E)-N-ethyl-N-(2-methylsulfanylethyl)pent-2-en-2-amine.
What is the SMILES notation for (E)-N-ethyl-N-(2-methylsulfanylethyl)pent-2-en-2-amine?
The canonical SMILES for (E)-N-ethyl-N-(2-methylsulfanylethyl)pent-2-en-2-amine is CC/C=C(\C)N(CC)CCSC.
What is the InChIKey of (E)-N-ethyl-N-(2-methylsulfanylethyl)pent-2-en-2-amine?
The InChIKey is MHDJDHGLVWPQMD-JXMROGBWSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-7-10(3)11(6-2)8-9-12-4/h7H,5-6,8-9H2,1-4H3/b10-7+.
What are the key properties of (E)-N-ethyl-N-(2-methylsulfanylethyl)pent-2-en-2-amine?
(E)-N-ethyl-N-(2-methylsulfanylethyl)pent-2-en-2-amine has a molecular weight of 187.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N-(2-methylsulfanylethyl)pent-2-en-2-amine is sourced from PubChem (CID 174137594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).