N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine

C12H25NO2S — CID 115712458

IUPACN-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCOCCOCCNC1CCCCC1SC
InChIInChI=1S/C12H25NO2S/c1-14-9-10-15-8-7-13-11-5-3-4-6-12(11)16-2/h11-13H,3-10H2,1-2H3
InChIKeyVAXAPHWALFDRCX-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.91
Rot. Bonds8

About N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine

N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine (PubChem CID 115712458) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
PubChem CID115712458
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCOCCOCCNC1CCCCC1SC
InChIInChI=1S/C12H25NO2S/c1-14-9-10-15-8-7-13-11-5-3-4-6-12(11)16-2/h11-13H,3-10H2,1-2H3
InChIKeyVAXAPHWALFDRCX-UHFFFAOYSA-N
XLogP1.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylbutoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103779518
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103931438
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylcycloheptan-1-amine
CID 104562465
N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81328492
2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine
CID 106365344
N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64759706
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
N-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103776401
N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 115712400
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 103775456
N-[2-(2-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103775995

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine (CID 115712458) is N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine is COCCOCCNC1CCCCC1SC.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is VAXAPHWALFDRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-14-9-10-15-8-7-13-11-5-3-4-6-12(11)16-2/h11-13H,3-10H2,1-2H3.
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine?
N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 115712458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).