N-[3-(2-methoxyethylsulfanyl)propyl]cyclohexanamine

C12H25NOS — CID 62578225

IUPACN-[3-(2-methoxyethylsulfanyl)propyl]cyclohexanamine
SMILESCOCCSCCCNC1CCCCC1
InChIInChI=1S/C12H25NOS/c1-14-9-11-15-10-5-8-13-12-6-3-2-4-7-12/h12-13H,2-11H2,1H3
InChIKeyGUSSMAZEVIKNGA-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.68
Rot. Bonds8

About N-[3-(2-methoxyethylsulfanyl)propyl]cyclohexanamine

N-[3-(2-methoxyethylsulfanyl)propyl]cyclohexanamine (PubChem CID 62578225) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is N-[3-(2-methoxyethylsulfanyl)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-(2-methoxyethylsulfanyl)propyl]cyclohexanamine
PubChem CID62578225
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC NameN-[3-(2-methoxyethylsulfanyl)propyl]cyclohexanamine
SMILESCOCCSCCCNC1CCCCC1
InChIInChI=1S/C12H25NOS/c1-14-9-11-15-10-5-8-13-12-6-3-2-4-7-12/h12-13H,2-11H2,1H3
InChIKeyGUSSMAZEVIKNGA-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
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-[3-(2-methoxyethylsulfanyl)propyl]cyclohexanamine?
The IUPAC name of N-[3-(2-methoxyethylsulfanyl)propyl]cyclohexanamine (CID 62578225) is N-[3-(2-methoxyethylsulfanyl)propyl]cyclohexanamine.
What is the SMILES notation for N-[3-(2-methoxyethylsulfanyl)propyl]cyclohexanamine?
The canonical SMILES for N-[3-(2-methoxyethylsulfanyl)propyl]cyclohexanamine is COCCSCCCNC1CCCCC1.
What is the InChIKey of N-[3-(2-methoxyethylsulfanyl)propyl]cyclohexanamine?
The InChIKey is GUSSMAZEVIKNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-14-9-11-15-10-5-8-13-12-6-3-2-4-7-12/h12-13H,2-11H2,1H3.
What are the key properties of N-[3-(2-methoxyethylsulfanyl)propyl]cyclohexanamine?
N-[3-(2-methoxyethylsulfanyl)propyl]cyclohexanamine has a molecular weight of 231.40 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethylsulfanyl)propyl]cyclohexanamine is sourced from PubChem (CID 62578225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).