N'-cyclohexyl-N-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine

C14H30N2S — CID 118585065

IUPACN'-cyclohexyl-N-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCNCCSC)C1CCCCC1
InChIInChI=1S/C14H30N2S/c1-3-11-16(12-9-15-10-13-17-2)14-7-5-4-6-8-14/h14-15H,3-13H2,1-2H3
InChIKeyOVBVOSADLOFIMI-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.98
Rot. Bonds9

About N'-cyclohexyl-N-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine

N'-cyclohexyl-N-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine (PubChem CID 118585065) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is N'-cyclohexyl-N-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine
PubChem CID118585065
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC NameN'-cyclohexyl-N-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCNCCSC)C1CCCCC1
InChIInChI=1S/C14H30N2S/c1-3-11-16(12-9-15-10-13-17-2)14-7-5-4-6-8-14/h14-15H,3-13H2,1-2H3
InChIKeyOVBVOSADLOFIMI-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 52.98
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-(piperidin-2-ylmethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
CID 106632082
N-methyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 106635519
N-(piperidin-2-ylmethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 106636028
N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 113858074
N'-cyclohexyl-N'-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine
CID 116615420
N-[(1-methylpiperidin-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 116615491
N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine
CID 116616219
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 116616238
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]propan-1-amine
CID 116616239
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methyl]propan-2-amine
CID 116616240
1-N,4-N-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1,4-diamine
CID 116616968
N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine
CID 20655873

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine (CID 118585065) is N'-cyclohexyl-N-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine is CCCN(CCNCCSC)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine?
The InChIKey is OVBVOSADLOFIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-3-11-16(12-9-15-10-13-17-2)14-7-5-4-6-8-14/h14-15H,3-13H2,1-2H3.
What are the key properties of N'-cyclohexyl-N-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine?
N'-cyclohexyl-N-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine has a molecular weight of 258.47 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 118585065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).