4-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylcyclohexan-1-amine

C12H26N2S — CID 20760595

IUPAC4-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(CSCCN(C)C)CC1
InChIInChI=1S/C12H26N2S/c1-13-12-6-4-11(5-7-12)10-15-9-8-14(2)3/h11-13H,4-10H2,1-3H3
InChIKeyWHLOQOIDETVRLN-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.06
Rot. Bonds6

About 4-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylcyclohexan-1-amine

4-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylcyclohexan-1-amine (PubChem CID 20760595) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylcyclohexan-1-amine
PubChem CID20760595
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name4-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(CSCCN(C)C)CC1
InChIInChI=1S/C12H26N2S/c1-13-12-6-4-11(5-7-12)10-15-9-8-14(2)3/h11-13H,4-10H2,1-3H3
InChIKeyWHLOQOIDETVRLN-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.06
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-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434639
N-(2-methyl-3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755687
N-(3-ethylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104080076
N-(3-methylsulfanylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844708
N-(4-methylsulfanylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844741
N-(1-methylsulfanylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844742
N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844764
N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844765
N-(6-methylsulfanylhexyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844843
N-(5-methylsulfanylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104926306
N-(4-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 113460009
N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 113460020

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylcyclohexan-1-amine (CID 20760595) is 4-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylcyclohexan-1-amine is CNC1CCC(CSCCN(C)C)CC1.
What is the InChIKey of 4-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylcyclohexan-1-amine?
The InChIKey is WHLOQOIDETVRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-13-12-6-4-11(5-7-12)10-15-9-8-14(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of 4-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylcyclohexan-1-amine?
4-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylcyclohexan-1-amine has a molecular weight of 230.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 20760595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).