3-tert-butylsulfanyl-N-(2-methoxyethyl)propan-1-amine

C10H23NOS — CID 62576720

IUPAC3-tert-butylsulfanyl-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCSC(C)(C)C
InChIInChI=1S/C10H23NOS/c1-10(2,3)13-9-5-6-11-7-8-12-4/h11H,5-9H2,1-4H3
InChIKeyJVUAGMLYOOOCEN-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.14
Rot. Bonds7

About 3-tert-butylsulfanyl-N-(2-methoxyethyl)propan-1-amine

3-tert-butylsulfanyl-N-(2-methoxyethyl)propan-1-amine (PubChem CID 62576720) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 3-tert-butylsulfanyl-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-tert-butylsulfanyl-N-(2-methoxyethyl)propan-1-amine
PubChem CID62576720
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name3-tert-butylsulfanyl-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCSC(C)(C)C
InChIInChI=1S/C10H23NOS/c1-10(2,3)13-9-5-6-11-7-8-12-4/h11H,5-9H2,1-4H3
InChIKeyJVUAGMLYOOOCEN-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.14
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

N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 62597133
2-[3-(2-methoxyethylamino)propylsulfanyl]ethanol
CID 64612517
tert-butyl 2-[3-(2-methoxyethylamino)propylsulfanyl]acetate
CID 116688029
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine
CID 64681637
N-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63982714
N'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine
CID 62562216
N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54806858
N,N-diethyl-2-[3-(2-methoxyethylamino)propylsulfanyl]acetamide
CID 114235060
ethane;N-(2-methoxyethyl)hexan-1-amine
CID 177359501
6-iodo-N-(2-methoxyethyl)hexan-1-amine
CID 107844777

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfanyl-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-tert-butylsulfanyl-N-(2-methoxyethyl)propan-1-amine (CID 62576720) is 3-tert-butylsulfanyl-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-tert-butylsulfanyl-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-tert-butylsulfanyl-N-(2-methoxyethyl)propan-1-amine is COCCNCCCSC(C)(C)C.
What is the InChIKey of 3-tert-butylsulfanyl-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is JVUAGMLYOOOCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-10(2,3)13-9-5-6-11-7-8-12-4/h11H,5-9H2,1-4H3.
What are the key properties of 3-tert-butylsulfanyl-N-(2-methoxyethyl)propan-1-amine?
3-tert-butylsulfanyl-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 205.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfanyl-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 62576720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).