N-ethyl-1-(2-methoxyethylsulfanyl)butan-2-amine

C9H21NOS — CID 64614714

IUPACN-ethyl-1-(2-methoxyethylsulfanyl)butan-2-amine
SMILESCCNC(CC)CSCCOC
InChIInChI=1S/C9H21NOS/c1-4-9(10-5-2)8-12-7-6-11-3/h9-10H,4-8H2,1-3H3
InChIKeyQAKWSGRYJGPBQA-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.75
Rot. Bonds8

About N-ethyl-1-(2-methoxyethylsulfanyl)butan-2-amine

N-ethyl-1-(2-methoxyethylsulfanyl)butan-2-amine (PubChem CID 64614714) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxyethylsulfanyl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxyethylsulfanyl)butan-2-amine
PubChem CID64614714
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC NameN-ethyl-1-(2-methoxyethylsulfanyl)butan-2-amine
SMILESCCNC(CC)CSCCOC
InChIInChI=1S/C9H21NOS/c1-4-9(10-5-2)8-12-7-6-11-3/h9-10H,4-8H2,1-3H3
InChIKeyQAKWSGRYJGPBQA-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 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 ≤ 51.75
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

2-[2-(ethylamino)butylsulfanyl]ethanol
CID 64612947
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N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine
CID 104560543
(2R)-1-(2-methoxyethylsulfanyl)propan-2-amine
CID 104889147
N-(1-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide
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N-ethyl-2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64613261
N-ethyl-1-pentylsulfanylpentan-2-amine
CID 107763051
N-ethyl-10-methoxydecan-4-amine
CID 104650043
(5-methoxy-1-propylsulfanylpentan-2-yl)hydrazine
CID 105225805
1-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine
CID 107511520
N-ethyl-1-propylsulfanyloctan-2-amine
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N-[2-(2-methoxyethoxy)propyl]pentan-3-amine
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxyethylsulfanyl)butan-2-amine?
The IUPAC name of N-ethyl-1-(2-methoxyethylsulfanyl)butan-2-amine (CID 64614714) is N-ethyl-1-(2-methoxyethylsulfanyl)butan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methoxyethylsulfanyl)butan-2-amine?
The canonical SMILES for N-ethyl-1-(2-methoxyethylsulfanyl)butan-2-amine is CCNC(CC)CSCCOC.
What is the InChIKey of N-ethyl-1-(2-methoxyethylsulfanyl)butan-2-amine?
The InChIKey is QAKWSGRYJGPBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-4-9(10-5-2)8-12-7-6-11-3/h9-10H,4-8H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methoxyethylsulfanyl)butan-2-amine?
N-ethyl-1-(2-methoxyethylsulfanyl)butan-2-amine has a molecular weight of 191.34 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxyethylsulfanyl)butan-2-amine is sourced from PubChem (CID 64614714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).