6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine

C10H23NO2S — CID 177359477

IUPAC6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine
SMILESCOCCCCCCNCCOSC
InChIInChI=1S/C10H23NO2S/c1-12-9-6-4-3-5-7-11-8-10-13-14-2/h11H,3-10H2,1-2H3
InChIKeyAHDIRDPATICWLB-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.08
Rot. Bonds11

About 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine

6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine (PubChem CID 177359477) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine
PubChem CID177359477
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine
SMILESCOCCCCCCNCCOSC
InChIInChI=1S/C10H23NO2S/c1-12-9-6-4-3-5-7-11-8-10-13-14-2/h11H,3-10H2,1-2H3
InChIKeyAHDIRDPATICWLB-UHFFFAOYSA-N
XLogP2.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylsulfanyloxy-N-(2-methylsulfanyloxyethyl)ethanamine
CID 118329939
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N-(4-methoxybutyl)tetradecan-1-amine
CID 145085752
ethane;N-[2-(2-ethoxyethoxy)ethyl]-6-methylsulfanyloxyhexan-1-amine
CID 177359498
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
ethane;N-(2-methoxyethyl)hexan-1-amine
CID 177359501
6-iodo-N-(2-methoxyethyl)hexan-1-amine
CID 107844777
3-(6-methoxyhexylamino)-N-methylpropanamide
CID 143379158
N-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine
CID 104649724
N-[2-(2-methoxyethoxy)ethyl]dodecan-1-amine
CID 63492773
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
4-methoxy-N-(3-trimethoxysilylpropyl)butan-1-amine
CID 142739557

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine?
The IUPAC name of 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine (CID 177359477) is 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine.
What is the SMILES notation for 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine?
The canonical SMILES for 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine is COCCCCCCNCCOSC.
What is the InChIKey of 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine?
The InChIKey is AHDIRDPATICWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-12-9-6-4-3-5-7-11-8-10-13-14-2/h11H,3-10H2,1-2H3.
What are the key properties of 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine?
6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 2.08, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine is sourced from PubChem (CID 177359477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).