N-(cyclohexylmethyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine

C16H26N2S — CID 102925969

IUPACN-(cyclohexylmethyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
SMILESCc1cc(C)nc(SCCNCC2CCCCC2)c1
InChIInChI=1S/C16H26N2S/c1-13-10-14(2)18-16(11-13)19-9-8-17-12-15-6-4-3-5-7-15/h10-11,15,17H,3-9,12H2,1-2H3
InChIKeyQWDMCVSUHHIIMX-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.96
Rot. Bonds6

About N-(cyclohexylmethyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine

N-(cyclohexylmethyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine (PubChem CID 102925969) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
PubChem CID102925969
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-(cyclohexylmethyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
SMILESCc1cc(C)nc(SCCNCC2CCCCC2)c1
InChIInChI=1S/C16H26N2S/c1-13-10-14(2)18-16(11-13)19-9-8-17-12-15-6-4-3-5-7-15/h10-11,15,17H,3-9,12H2,1-2H3
InChIKeyQWDMCVSUHHIIMX-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.96
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

Dimethyl({2-[(6-phenylpyridin-2-yl)sulfanyl]ethyl})amine
CID 9881600
2-(6-cyclohexylpyridin-2-ylthio)-N,N-dimethylethanamine
CID 10015688
2-(Benzylsulfanyl)-4,6-dimethylnicotinonitrile
CID 698489
2-(2-Methylaminoethylthio)-3-phenylquinoline hydrochloride
CID 13200208
4,6-Dimethyl-2-(2-piperidylethylthio)pyridine-3-carbonitrile
CID 725545
2-(Allylsulfanyl)-6-methyl-4-styrylnicotinonitrile
CID 5708099
2-(6-(2,6-Dimethylphenyl)pyridin-2-ylthio)-N,Ndimethylethanamine
CID 46233350
4-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-N,N-dimethylaniline
CID 162653434
3-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-N,N-dimethylaniline
CID 162656052
2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-N-(4-methyl-benzyl)-acetamide
CID 648554
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 40668132
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[(3-fluorophenyl)methyl]acetamide
CID 72713649

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine (CID 102925969) is N-(cyclohexylmethyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine is Cc1cc(C)nc(SCCNCC2CCCCC2)c1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine?
The InChIKey is QWDMCVSUHHIIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-13-10-14(2)18-16(11-13)19-9-8-17-12-15-6-4-3-5-7-15/h10-11,15,17H,3-9,12H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine?
N-(cyclohexylmethyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine has a molecular weight of 278.46 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine is sourced from PubChem (CID 102925969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).