1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine

C9H21NO2S — CID 62577802

IUPAC1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine
SMILESCOCCSCCNC(C)COC
InChIInChI=1S/C9H21NO2S/c1-9(8-12-3)10-4-6-13-7-5-11-2/h9-10H,4-8H2,1-3H3
InChIKeyHZPPFYIRLLQOSM-UHFFFAOYSA-N
MW207.34 g/mol
LogP0.99
Rot. Bonds9

About 1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine

1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine (PubChem CID 62577802) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine
PubChem CID62577802
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine
SMILESCOCCSCCNC(C)COC
InChIInChI=1S/C9H21NO2S/c1-9(8-12-3)10-4-6-13-7-5-11-2/h9-10H,4-8H2,1-3H3
InChIKeyHZPPFYIRLLQOSM-UHFFFAOYSA-N
XLogP0.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-N-(2-propylsulfanylethyl)propan-2-amine
CID 62577131
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 142226149
1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine
CID 43180595
4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine
CID 115891473
1-methoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 60688575
N-[2-(2-methoxyethylsulfanyl)ethyl]-4-methylpentan-1-amine
CID 62576986
1-(furan-2-yl)-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine
CID 62578864
N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-1-amine
CID 88856095
N-(1-methoxypropan-2-yl)nonan-1-amine
CID 43129186
N-(1-methoxypropan-2-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62574091
N',N'-diethyl-N-[(2R)-1-methoxypropan-2-yl]ethane-1,2-diamine
CID 28571173

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine (CID 62577802) is 1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine is COCCSCCNC(C)COC.
What is the InChIKey of 1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine?
The InChIKey is HZPPFYIRLLQOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-9(8-12-3)10-4-6-13-7-5-11-2/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine?
1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine has a molecular weight of 207.34 g/mol, XLogP of 0.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine is sourced from PubChem (CID 62577802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).