(E)-2-ethyl-N-methyl-5-methylsulfanylpent-4-en-1-amine

C9H19NS — CID 163496088

IUPAC(E)-2-ethyl-N-methyl-5-methylsulfanylpent-4-en-1-amine
SMILESCCC(C/C=C/SC)CNC
InChIInChI=1S/C9H19NS/c1-4-9(8-10-2)6-5-7-11-3/h5,7,9-10H,4,6,8H2,1-3H3/b7-5+
InChIKeyCQVJQBZEEINZSF-FNORWQNLSA-N
MW173.33 g/mol
LogP2.50
Rot. Bonds6

About (E)-2-ethyl-N-methyl-5-methylsulfanylpent-4-en-1-amine

(E)-2-ethyl-N-methyl-5-methylsulfanylpent-4-en-1-amine (PubChem CID 163496088) has the molecular formula C9H19NS and a molecular weight of 173.33 g/mol. Its IUPAC name is (E)-2-ethyl-N-methyl-5-methylsulfanylpent-4-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethyl-N-methyl-5-methylsulfanylpent-4-en-1-amine
PubChem CID163496088
Molecular FormulaC9H19NS
Molecular Weight173.33 g/mol
Exact Mass173.12
IUPAC Name(E)-2-ethyl-N-methyl-5-methylsulfanylpent-4-en-1-amine
SMILESCCC(C/C=C/SC)CNC
InChIInChI=1S/C9H19NS/c1-4-9(8-10-2)6-5-7-11-3/h5,7,9-10H,4,6,8H2,1-3H3/b7-5+
InChIKeyCQVJQBZEEINZSF-FNORWQNLSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-N-methyl-5-methylsulfanylpent-4-en-1-amine?
The IUPAC name of (E)-2-ethyl-N-methyl-5-methylsulfanylpent-4-en-1-amine (CID 163496088) is (E)-2-ethyl-N-methyl-5-methylsulfanylpent-4-en-1-amine.
What is the SMILES notation for (E)-2-ethyl-N-methyl-5-methylsulfanylpent-4-en-1-amine?
The canonical SMILES for (E)-2-ethyl-N-methyl-5-methylsulfanylpent-4-en-1-amine is CCC(C/C=C/SC)CNC.
What is the InChIKey of (E)-2-ethyl-N-methyl-5-methylsulfanylpent-4-en-1-amine?
The InChIKey is CQVJQBZEEINZSF-FNORWQNLSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-9(8-10-2)6-5-7-11-3/h5,7,9-10H,4,6,8H2,1-3H3/b7-5+.
What are the key properties of (E)-2-ethyl-N-methyl-5-methylsulfanylpent-4-en-1-amine?
(E)-2-ethyl-N-methyl-5-methylsulfanylpent-4-en-1-amine has a molecular weight of 173.33 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-N-methyl-5-methylsulfanylpent-4-en-1-amine is sourced from PubChem (CID 163496088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).