5-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]hexan-2-amine

C14H29NOS — CID 62989458

IUPAC5-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]hexan-2-amine
SMILESCC(C)CCC(C)NCCSC1CCOCC1
InChIInChI=1S/C14H29NOS/c1-12(2)4-5-13(3)15-8-11-17-14-6-9-16-10-7-14/h12-15H,4-11H2,1-3H3
InChIKeyRWMFJDMTUXIULZ-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.31
Rot. Bonds8

About 5-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]hexan-2-amine

5-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]hexan-2-amine (PubChem CID 62989458) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 5-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]hexan-2-amine
PubChem CID62989458
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name5-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]hexan-2-amine
SMILESCC(C)CCC(C)NCCSC1CCOCC1
InChIInChI=1S/C14H29NOS/c1-12(2)4-5-13(3)15-8-11-17-14-6-9-16-10-7-14/h12-15H,4-11H2,1-3H3
InChIKeyRWMFJDMTUXIULZ-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]hexan-2-amine (CID 62989458) is 5-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]hexan-2-amine is CC(C)CCC(C)NCCSC1CCOCC1.
What is the InChIKey of 5-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]hexan-2-amine?
The InChIKey is RWMFJDMTUXIULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-12(2)4-5-13(3)15-8-11-17-14-6-9-16-10-7-14/h12-15H,4-11H2,1-3H3.
What are the key properties of 5-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]hexan-2-amine?
5-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]hexan-2-amine has a molecular weight of 259.46 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]hexan-2-amine is sourced from PubChem (CID 62989458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).