6-(2-methoxyethylsulfanyl)hexan-2-amine

C9H21NOS — CID 64615572

IUPAC6-(2-methoxyethylsulfanyl)hexan-2-amine
SMILESCOCCSCCCCC(C)N
InChIInChI=1S/C9H21NOS/c1-9(10)5-3-4-7-12-8-6-11-2/h9H,3-8,10H2,1-2H3
InChIKeyZUMWAPZKIWIOIO-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.88
Rot. Bonds8

About 6-(2-methoxyethylsulfanyl)hexan-2-amine

6-(2-methoxyethylsulfanyl)hexan-2-amine (PubChem CID 64615572) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is 6-(2-methoxyethylsulfanyl)hexan-2-amine.

Molecular Properties

Compound Name6-(2-methoxyethylsulfanyl)hexan-2-amine
PubChem CID64615572
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name6-(2-methoxyethylsulfanyl)hexan-2-amine
SMILESCOCCSCCCCC(C)N
InChIInChI=1S/C9H21NOS/c1-9(10)5-3-4-7-12-8-6-11-2/h9H,3-8,10H2,1-2H3
InChIKeyZUMWAPZKIWIOIO-UHFFFAOYSA-N
XLogP1.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.88
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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Related Compounds

6-butylsulfanylhexan-2-amine
CID 64611512
(2S)-5-methoxypentan-2-amine
CID 93315322
(2R)-1-(2-methoxyethylsulfanyl)propan-2-amine
CID 104889147
5-(3-methylbutylsulfanyl)pentan-2-amine
CID 107764237
6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine
CID 103177211
docosane-2,21-diamine
CID 150079956
4-(3-methoxypropylsulfanyl)butan-1-amine
CID 63856674
1-[2-(3-methoxypropoxy)ethylsulfanyl]propan-2-amine
CID 103180189
N-[2-(2-methoxyethylsulfanyl)ethyl]-4-methylpentan-1-amine
CID 62576986
N-tert-butyl-4-(2-methoxyethylsulfanyl)butan-1-amine
CID 62579056
amino(6-aminoheptoxy)methanol
CID 87237972
6-(trifluoromethylsulfanyl)hexan-2-amine
CID 116627201

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylsulfanyl)hexan-2-amine?
The IUPAC name of 6-(2-methoxyethylsulfanyl)hexan-2-amine (CID 64615572) is 6-(2-methoxyethylsulfanyl)hexan-2-amine.
What is the SMILES notation for 6-(2-methoxyethylsulfanyl)hexan-2-amine?
The canonical SMILES for 6-(2-methoxyethylsulfanyl)hexan-2-amine is COCCSCCCCC(C)N.
What is the InChIKey of 6-(2-methoxyethylsulfanyl)hexan-2-amine?
The InChIKey is ZUMWAPZKIWIOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-9(10)5-3-4-7-12-8-6-11-2/h9H,3-8,10H2,1-2H3.
What are the key properties of 6-(2-methoxyethylsulfanyl)hexan-2-amine?
6-(2-methoxyethylsulfanyl)hexan-2-amine has a molecular weight of 191.34 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylsulfanyl)hexan-2-amine is sourced from PubChem (CID 64615572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).