2-methyl-1-methylsulfanylhex-5-en-3-amine

C8H17NS — CID 126974420

IUPAC2-methyl-1-methylsulfanylhex-5-en-3-amine
SMILESC=CCC(N)C(C)CSC
InChIInChI=1S/C8H17NS/c1-4-5-8(9)7(2)6-10-3/h4,7-8H,1,5-6,9H2,2-3H3
InChIKeyIDDWCQSUAODBLK-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.89
Rot. Bonds5

About 2-methyl-1-methylsulfanylhex-5-en-3-amine

2-methyl-1-methylsulfanylhex-5-en-3-amine (PubChem CID 126974420) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanylhex-5-en-3-amine.

Molecular Properties

Compound Name2-methyl-1-methylsulfanylhex-5-en-3-amine
PubChem CID126974420
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-methyl-1-methylsulfanylhex-5-en-3-amine
SMILESC=CCC(N)C(C)CSC
InChIInChI=1S/C8H17NS/c1-4-5-8(9)7(2)6-10-3/h4,7-8H,1,5-6,9H2,2-3H3
InChIKeyIDDWCQSUAODBLK-UHFFFAOYSA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanylhex-5-en-3-amine?
The IUPAC name of 2-methyl-1-methylsulfanylhex-5-en-3-amine (CID 126974420) is 2-methyl-1-methylsulfanylhex-5-en-3-amine.
What is the SMILES notation for 2-methyl-1-methylsulfanylhex-5-en-3-amine?
The canonical SMILES for 2-methyl-1-methylsulfanylhex-5-en-3-amine is C=CCC(N)C(C)CSC.
What is the InChIKey of 2-methyl-1-methylsulfanylhex-5-en-3-amine?
The InChIKey is IDDWCQSUAODBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-4-5-8(9)7(2)6-10-3/h4,7-8H,1,5-6,9H2,2-3H3.
What are the key properties of 2-methyl-1-methylsulfanylhex-5-en-3-amine?
2-methyl-1-methylsulfanylhex-5-en-3-amine has a molecular weight of 159.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanylhex-5-en-3-amine is sourced from PubChem (CID 126974420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).