(E)-6-methylsulfanylhex-5-en-2-amine

C7H15NS — CID 55283837

IUPAC(E)-6-methylsulfanylhex-5-en-2-amine
SMILESCS/C=C/CCC(C)N
InChIInChI=1S/C7H15NS/c1-7(8)5-3-4-6-9-2/h4,6-7H,3,5,8H2,1-2H3/b6-4+
InChIKeyVVEVOIOESBDRQD-GQCTYLIASA-N
MW145.27 g/mol
LogP1.99
Rot. Bonds4

About (E)-6-methylsulfanylhex-5-en-2-amine

(E)-6-methylsulfanylhex-5-en-2-amine (PubChem CID 55283837) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (E)-6-methylsulfanylhex-5-en-2-amine.

Molecular Properties

Compound Name(E)-6-methylsulfanylhex-5-en-2-amine
PubChem CID55283837
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(E)-6-methylsulfanylhex-5-en-2-amine
SMILESCS/C=C/CCC(C)N
InChIInChI=1S/C7H15NS/c1-7(8)5-3-4-6-9-2/h4,6-7H,3,5,8H2,1-2H3/b6-4+
InChIKeyVVEVOIOESBDRQD-GQCTYLIASA-N
XLogP1.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-6-methylsulfanylhex-5-en-2-amine?
The IUPAC name of (E)-6-methylsulfanylhex-5-en-2-amine (CID 55283837) is (E)-6-methylsulfanylhex-5-en-2-amine.
What is the SMILES notation for (E)-6-methylsulfanylhex-5-en-2-amine?
The canonical SMILES for (E)-6-methylsulfanylhex-5-en-2-amine is CS/C=C/CCC(C)N.
What is the InChIKey of (E)-6-methylsulfanylhex-5-en-2-amine?
The InChIKey is VVEVOIOESBDRQD-GQCTYLIASA-N. The full InChI is InChI=1S/C7H15NS/c1-7(8)5-3-4-6-9-2/h4,6-7H,3,5,8H2,1-2H3/b6-4+.
What are the key properties of (E)-6-methylsulfanylhex-5-en-2-amine?
(E)-6-methylsulfanylhex-5-en-2-amine has a molecular weight of 145.27 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methylsulfanylhex-5-en-2-amine is sourced from PubChem (CID 55283837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).