N-[2-(2-aminoethylsulfanyl)ethyl]-N-methylcyclohexanamine

C11H24N2S — CID 39101878

IUPACN-[2-(2-aminoethylsulfanyl)ethyl]-N-methylcyclohexanamine
SMILESCN(CCSCCN)C1CCCCC1
InChIInChI=1S/C11H24N2S/c1-13(8-10-14-9-7-12)11-5-3-2-4-6-11/h11H,2-10,12H2,1H3
InChIKeyYADRGKKKZMNFGH-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.94
Rot. Bonds6

About N-[2-(2-aminoethylsulfanyl)ethyl]-N-methylcyclohexanamine

N-[2-(2-aminoethylsulfanyl)ethyl]-N-methylcyclohexanamine (PubChem CID 39101878) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is N-[2-(2-aminoethylsulfanyl)ethyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[2-(2-aminoethylsulfanyl)ethyl]-N-methylcyclohexanamine
PubChem CID39101878
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC NameN-[2-(2-aminoethylsulfanyl)ethyl]-N-methylcyclohexanamine
SMILESCN(CCSCCN)C1CCCCC1
InChIInChI=1S/C11H24N2S/c1-13(8-10-14-9-7-12)11-5-3-2-4-6-11/h11H,2-10,12H2,1H3
InChIKeyYADRGKKKZMNFGH-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.94
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-[2-(2-aminoethylsulfanyl)ethyl]-N-methylcyclohexanamine?
The IUPAC name of N-[2-(2-aminoethylsulfanyl)ethyl]-N-methylcyclohexanamine (CID 39101878) is N-[2-(2-aminoethylsulfanyl)ethyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[2-(2-aminoethylsulfanyl)ethyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[2-(2-aminoethylsulfanyl)ethyl]-N-methylcyclohexanamine is CN(CCSCCN)C1CCCCC1.
What is the InChIKey of N-[2-(2-aminoethylsulfanyl)ethyl]-N-methylcyclohexanamine?
The InChIKey is YADRGKKKZMNFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-13(8-10-14-9-7-12)11-5-3-2-4-6-11/h11H,2-10,12H2,1H3.
What are the key properties of N-[2-(2-aminoethylsulfanyl)ethyl]-N-methylcyclohexanamine?
N-[2-(2-aminoethylsulfanyl)ethyl]-N-methylcyclohexanamine has a molecular weight of 216.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylsulfanyl)ethyl]-N-methylcyclohexanamine is sourced from PubChem (CID 39101878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).