5-methoxy-5-methyl-1-propylsulfanylhexan-2-amine

C11H25NOS — CID 103035690

IUPAC5-methoxy-5-methyl-1-propylsulfanylhexan-2-amine
SMILESCCCSCC(N)CCC(C)(C)OC
InChIInChI=1S/C11H25NOS/c1-5-8-14-9-10(12)6-7-11(2,3)13-4/h10H,5-9,12H2,1-4H3
InChIKeyFKZZGZKTEHKSBD-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.66
Rot. Bonds8

About 5-methoxy-5-methyl-1-propylsulfanylhexan-2-amine

5-methoxy-5-methyl-1-propylsulfanylhexan-2-amine (PubChem CID 103035690) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 5-methoxy-5-methyl-1-propylsulfanylhexan-2-amine.

Molecular Properties

Compound Name5-methoxy-5-methyl-1-propylsulfanylhexan-2-amine
PubChem CID103035690
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name5-methoxy-5-methyl-1-propylsulfanylhexan-2-amine
SMILESCCCSCC(N)CCC(C)(C)OC
InChIInChI=1S/C11H25NOS/c1-5-8-14-9-10(12)6-7-11(2,3)13-4/h10H,5-9,12H2,1-4H3
InChIKeyFKZZGZKTEHKSBD-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.66
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-methoxy-5-methyl-1-propylsulfanylhexan-2-amine?
The IUPAC name of 5-methoxy-5-methyl-1-propylsulfanylhexan-2-amine (CID 103035690) is 5-methoxy-5-methyl-1-propylsulfanylhexan-2-amine.
What is the SMILES notation for 5-methoxy-5-methyl-1-propylsulfanylhexan-2-amine?
The canonical SMILES for 5-methoxy-5-methyl-1-propylsulfanylhexan-2-amine is CCCSCC(N)CCC(C)(C)OC.
What is the InChIKey of 5-methoxy-5-methyl-1-propylsulfanylhexan-2-amine?
The InChIKey is FKZZGZKTEHKSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-5-8-14-9-10(12)6-7-11(2,3)13-4/h10H,5-9,12H2,1-4H3.
What are the key properties of 5-methoxy-5-methyl-1-propylsulfanylhexan-2-amine?
5-methoxy-5-methyl-1-propylsulfanylhexan-2-amine has a molecular weight of 219.39 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-1-propylsulfanylhexan-2-amine is sourced from PubChem (CID 103035690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).