N-methyl-4-methylsulfanylhex-5-en-1-amine

C8H17NS — CID 166885618

IUPACN-methyl-4-methylsulfanylhex-5-en-1-amine
SMILESC=CC(CCCNC)SC
InChIInChI=1S/C8H17NS/c1-4-8(10-3)6-5-7-9-2/h4,8-9H,1,5-7H2,2-3H3
InChIKeyLMYOILSGQDSHMG-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.90
Rot. Bonds6

About N-methyl-4-methylsulfanylhex-5-en-1-amine

N-methyl-4-methylsulfanylhex-5-en-1-amine (PubChem CID 166885618) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-methyl-4-methylsulfanylhex-5-en-1-amine.

Molecular Properties

Compound NameN-methyl-4-methylsulfanylhex-5-en-1-amine
PubChem CID166885618
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-methyl-4-methylsulfanylhex-5-en-1-amine
SMILESC=CC(CCCNC)SC
InChIInChI=1S/C8H17NS/c1-4-8(10-3)6-5-7-9-2/h4,8-9H,1,5-7H2,2-3H3
InChIKeyLMYOILSGQDSHMG-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-4-methylsulfanylhex-5-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfanylhex-5-en-1-amine?
The IUPAC name of N-methyl-4-methylsulfanylhex-5-en-1-amine (CID 166885618) is N-methyl-4-methylsulfanylhex-5-en-1-amine.
What is the SMILES notation for N-methyl-4-methylsulfanylhex-5-en-1-amine?
The canonical SMILES for N-methyl-4-methylsulfanylhex-5-en-1-amine is C=CC(CCCNC)SC.
What is the InChIKey of N-methyl-4-methylsulfanylhex-5-en-1-amine?
The InChIKey is LMYOILSGQDSHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-4-8(10-3)6-5-7-9-2/h4,8-9H,1,5-7H2,2-3H3.
What are the key properties of N-methyl-4-methylsulfanylhex-5-en-1-amine?
N-methyl-4-methylsulfanylhex-5-en-1-amine has a molecular weight of 159.30 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfanylhex-5-en-1-amine is sourced from PubChem (CID 166885618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).