N-methyl-5-methylidene-8-methylsulfanyloct-1-en-2-amine

C11H21NS — CID 167303338

IUPACN-methyl-5-methylidene-8-methylsulfanyloct-1-en-2-amine
SMILESC=C(CCCSC)CCC(=C)NC
InChIInChI=1S/C11H21NS/c1-10(6-5-9-13-4)7-8-11(2)12-3/h12H,1-2,5-9H2,3-4H3
InChIKeyOWBYMQCUPRILCB-UHFFFAOYSA-N
MW199.36 g/mol
LogP3.20
Rot. Bonds8

About N-methyl-5-methylidene-8-methylsulfanyloct-1-en-2-amine

N-methyl-5-methylidene-8-methylsulfanyloct-1-en-2-amine (PubChem CID 167303338) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-methyl-5-methylidene-8-methylsulfanyloct-1-en-2-amine.

Molecular Properties

Compound NameN-methyl-5-methylidene-8-methylsulfanyloct-1-en-2-amine
PubChem CID167303338
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-methyl-5-methylidene-8-methylsulfanyloct-1-en-2-amine
SMILESC=C(CCCSC)CCC(=C)NC
InChIInChI=1S/C11H21NS/c1-10(6-5-9-13-4)7-8-11(2)12-3/h12H,1-2,5-9H2,3-4H3
InChIKeyOWBYMQCUPRILCB-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.20
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'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-methylidene-8-methylsulfanyloct-1-en-2-amine?
The IUPAC name of N-methyl-5-methylidene-8-methylsulfanyloct-1-en-2-amine (CID 167303338) is N-methyl-5-methylidene-8-methylsulfanyloct-1-en-2-amine.
What is the SMILES notation for N-methyl-5-methylidene-8-methylsulfanyloct-1-en-2-amine?
The canonical SMILES for N-methyl-5-methylidene-8-methylsulfanyloct-1-en-2-amine is C=C(CCCSC)CCC(=C)NC.
What is the InChIKey of N-methyl-5-methylidene-8-methylsulfanyloct-1-en-2-amine?
The InChIKey is OWBYMQCUPRILCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-10(6-5-9-13-4)7-8-11(2)12-3/h12H,1-2,5-9H2,3-4H3.
What are the key properties of N-methyl-5-methylidene-8-methylsulfanyloct-1-en-2-amine?
N-methyl-5-methylidene-8-methylsulfanyloct-1-en-2-amine has a molecular weight of 199.36 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-methylidene-8-methylsulfanyloct-1-en-2-amine is sourced from PubChem (CID 167303338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).