N-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine

C9H21NOS — CID 104669061

IUPACN-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine
SMILESCCSCCNCCOC(C)C
InChIInChI=1S/C9H21NOS/c1-4-12-8-6-10-5-7-11-9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyQTAQISFYLBDPEI-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.75
Rot. Bonds8

About N-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine

N-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine (PubChem CID 104669061) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine
PubChem CID104669061
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC NameN-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine
SMILESCCSCCNCCOC(C)C
InChIInChI=1S/C9H21NOS/c1-4-12-8-6-10-5-7-11-9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyQTAQISFYLBDPEI-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

chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride
CID 139119576
N-(2-bromoethyl)-2-propan-2-yloxyethanamine
CID 114505264
N-[2-(3-methoxypropylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 63857445
2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine
CID 104668737
2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
CID 62576536
N-ethyl-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138726958
N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261849
(2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol
CID 104760155
N-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine
CID 149204249
N'-methyl-N'-propan-2-yl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 62641029
N-(2-ethylsulfanylethyl)-2,3-dimethoxypropan-1-amine
CID 102672962
2-methyl-3-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 63965623

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine?
The IUPAC name of N-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine (CID 104669061) is N-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine?
The canonical SMILES for N-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine is CCSCCNCCOC(C)C.
What is the InChIKey of N-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine?
The InChIKey is QTAQISFYLBDPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-4-12-8-6-10-5-7-11-9(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of N-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine?
N-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine 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-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 104669061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).