N-(cyclohexylmethyl)-2-(2-methoxyethylsulfanyl)ethanamine

C12H25NOS — CID 62576374

IUPACN-(cyclohexylmethyl)-2-(2-methoxyethylsulfanyl)ethanamine
SMILESCOCCSCCNCC1CCCCC1
InChIInChI=1S/C12H25NOS/c1-14-8-10-15-9-7-13-11-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3
InChIKeyZPLAQIQSYABULH-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.54
Rot. Bonds8

About N-(cyclohexylmethyl)-2-(2-methoxyethylsulfanyl)ethanamine

N-(cyclohexylmethyl)-2-(2-methoxyethylsulfanyl)ethanamine (PubChem CID 62576374) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(2-methoxyethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(2-methoxyethylsulfanyl)ethanamine
PubChem CID62576374
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC NameN-(cyclohexylmethyl)-2-(2-methoxyethylsulfanyl)ethanamine
SMILESCOCCSCCNCC1CCCCC1
InChIInChI=1S/C12H25NOS/c1-14-8-10-15-9-7-13-11-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3
InChIKeyZPLAQIQSYABULH-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.54
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(2-methoxyethylsulfanyl)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-(2-methoxyethylsulfanyl)ethanamine (CID 62576374) is N-(cyclohexylmethyl)-2-(2-methoxyethylsulfanyl)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(2-methoxyethylsulfanyl)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-(2-methoxyethylsulfanyl)ethanamine is COCCSCCNCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(2-methoxyethylsulfanyl)ethanamine?
The InChIKey is ZPLAQIQSYABULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-14-8-10-15-9-7-13-11-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-2-(2-methoxyethylsulfanyl)ethanamine?
N-(cyclohexylmethyl)-2-(2-methoxyethylsulfanyl)ethanamine has a molecular weight of 231.40 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(2-methoxyethylsulfanyl)ethanamine is sourced from PubChem (CID 62576374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).