N-cyclohexyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine

C24H34N2S — CID 118584837

IUPACN-cyclohexyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine
SMILESCN(CCN(CCCSc1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C24H34N2S/c1-25(22-12-5-2-6-13-22)19-20-26(23-14-7-3-8-15-23)18-11-21-27-24-16-9-4-10-17-24/h3-4,7-10,14-17,22H,2,5-6,11-13,18-21H2,1H3
InChIKeyCIARHLXYCZQJEU-UHFFFAOYSA-N
MW382.62 g/mol
LogP5.94
Rot. Bonds10

About N-cyclohexyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine

N-cyclohexyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine (PubChem CID 118584837) has the molecular formula C24H34N2S and a molecular weight of 382.62 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine
PubChem CID118584837
Molecular FormulaC24H34N2S
Molecular Weight382.62 g/mol
Exact Mass382.24
IUPAC NameN-cyclohexyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine
SMILESCN(CCN(CCCSc1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C24H34N2S/c1-25(22-12-5-2-6-13-22)19-20-26(23-14-7-3-8-15-23)18-11-21-27-24-16-9-4-10-17-24/h3-4,7-10,14-17,22H,2,5-6,11-13,18-21H2,1H3
InChIKeyCIARHLXYCZQJEU-UHFFFAOYSA-N
XLogP5.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.62
LogP ≤ 55.94
H-Bond Donors ≤ 50
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-cyclohexyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine (CID 118584837) is N-cyclohexyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine is CN(CCN(CCCSc1ccccc1)c1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine?
The InChIKey is CIARHLXYCZQJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2S/c1-25(22-12-5-2-6-13-22)19-20-26(23-14-7-3-8-15-23)18-11-21-27-24-16-9-4-10-17-24/h3-4,7-10,14-17,22H,2,5-6,11-13,18-21H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine?
N-cyclohexyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine has a molecular weight of 382.62 g/mol, XLogP of 5.94, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 118584837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).