5-ethylsulfanyl-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpentan-1-amine

C14H31NOS — CID 113474321

IUPAC5-ethylsulfanyl-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpentan-1-amine
SMILESCCSCCCC(C)(CNCCOC)C(C)C
InChIInChI=1S/C14H31NOS/c1-6-17-11-7-8-14(4,13(2)3)12-15-9-10-16-5/h13,15H,6-12H2,1-5H3
InChIKeyTZBHCWCFJJRJIA-UHFFFAOYSA-N
MW261.47 g/mol
LogP3.42
Rot. Bonds11

About 5-ethylsulfanyl-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpentan-1-amine

5-ethylsulfanyl-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpentan-1-amine (PubChem CID 113474321) has the molecular formula C14H31NOS and a molecular weight of 261.47 g/mol. Its IUPAC name is 5-ethylsulfanyl-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-ethylsulfanyl-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpentan-1-amine
PubChem CID113474321
Molecular FormulaC14H31NOS
Molecular Weight261.47 g/mol
Exact Mass261.21
IUPAC Name5-ethylsulfanyl-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpentan-1-amine
SMILESCCSCCCC(C)(CNCCOC)C(C)C
InChIInChI=1S/C14H31NOS/c1-6-17-11-7-8-14(4,13(2)3)12-15-9-10-16-5/h13,15H,6-12H2,1-5H3
InChIKeyTZBHCWCFJJRJIA-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.47
LogP ≤ 53.42
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-(2-methoxyethyl)-2-methyl-2-propan-2-yldecan-1-amine
CID 83150997
N-(2-methoxyethyl)-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83151109
N-(2-methoxyethyl)-2,4-dimethyl-2-propan-2-ylpentan-1-amine
CID 83151451
N-ethyl-2-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83159390
N-(2-methoxyethyl)-2,4,6-trimethyl-2-propan-2-ylheptan-1-amine
CID 114201279
N-(2-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine
CID 83151570
2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150266
2-(2-methoxyethyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83150406
2-methyl-2-propan-2-yl-N-propyloctan-1-amine
CID 83159495
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83149836
N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
CID 62726160
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpentan-1-amine?
The IUPAC name of 5-ethylsulfanyl-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpentan-1-amine (CID 113474321) is 5-ethylsulfanyl-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-ethylsulfanyl-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-ethylsulfanyl-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpentan-1-amine is CCSCCCC(C)(CNCCOC)C(C)C.
What is the InChIKey of 5-ethylsulfanyl-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpentan-1-amine?
The InChIKey is TZBHCWCFJJRJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NOS/c1-6-17-11-7-8-14(4,13(2)3)12-15-9-10-16-5/h13,15H,6-12H2,1-5H3.
What are the key properties of 5-ethylsulfanyl-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpentan-1-amine?
5-ethylsulfanyl-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpentan-1-amine has a molecular weight of 261.47 g/mol, XLogP of 3.42, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpentan-1-amine is sourced from PubChem (CID 113474321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).