2-[2-[3-[2-(dimethylamino)ethylsulfanyl]-4-methylpentyl]cyclohexyl]sulfanyl-N,N-dimethylethanamine

C20H42N2S2 — CID 163268492

IUPAC2-[2-[3-[2-(dimethylamino)ethylsulfanyl]-4-methylpentyl]cyclohexyl]sulfanyl-N,N-dimethylethanamine
SMILESCC(C)C(CCC1CCCCC1SCCN(C)C)SCCN(C)C
InChIInChI=1S/C20H42N2S2/c1-17(2)19(23-15-13-21(3)4)12-11-18-9-7-8-10-20(18)24-16-14-22(5)6/h17-20H,7-16H2,1-6H3
InChIKeyWVCWXSCKHPBIAE-UHFFFAOYSA-N
MW374.70 g/mol
LogP4.94
Rot. Bonds12

About 2-[2-[3-[2-(dimethylamino)ethylsulfanyl]-4-methylpentyl]cyclohexyl]sulfanyl-N,N-dimethylethanamine

2-[2-[3-[2-(dimethylamino)ethylsulfanyl]-4-methylpentyl]cyclohexyl]sulfanyl-N,N-dimethylethanamine (PubChem CID 163268492) has the molecular formula C20H42N2S2 and a molecular weight of 374.70 g/mol. Its IUPAC name is 2-[2-[3-[2-(dimethylamino)ethylsulfanyl]-4-methylpentyl]cyclohexyl]sulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[3-[2-(dimethylamino)ethylsulfanyl]-4-methylpentyl]cyclohexyl]sulfanyl-N,N-dimethylethanamine
PubChem CID163268492
Molecular FormulaC20H42N2S2
Molecular Weight374.70 g/mol
Exact Mass374.28
IUPAC Name2-[2-[3-[2-(dimethylamino)ethylsulfanyl]-4-methylpentyl]cyclohexyl]sulfanyl-N,N-dimethylethanamine
SMILESCC(C)C(CCC1CCCCC1SCCN(C)C)SCCN(C)C
InChIInChI=1S/C20H42N2S2/c1-17(2)19(23-15-13-21(3)4)12-11-18-9-7-8-10-20(18)24-16-14-22(5)6/h17-20H,7-16H2,1-6H3
InChIKeyWVCWXSCKHPBIAE-UHFFFAOYSA-N
XLogP4.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.70
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(dimethylamino)ethylsulfanyl]-4-methylpentyl]cyclohexyl]sulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[3-[2-(dimethylamino)ethylsulfanyl]-4-methylpentyl]cyclohexyl]sulfanyl-N,N-dimethylethanamine (CID 163268492) is 2-[2-[3-[2-(dimethylamino)ethylsulfanyl]-4-methylpentyl]cyclohexyl]sulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[3-[2-(dimethylamino)ethylsulfanyl]-4-methylpentyl]cyclohexyl]sulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[3-[2-(dimethylamino)ethylsulfanyl]-4-methylpentyl]cyclohexyl]sulfanyl-N,N-dimethylethanamine is CC(C)C(CCC1CCCCC1SCCN(C)C)SCCN(C)C.
What is the InChIKey of 2-[2-[3-[2-(dimethylamino)ethylsulfanyl]-4-methylpentyl]cyclohexyl]sulfanyl-N,N-dimethylethanamine?
The InChIKey is WVCWXSCKHPBIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2S2/c1-17(2)19(23-15-13-21(3)4)12-11-18-9-7-8-10-20(18)24-16-14-22(5)6/h17-20H,7-16H2,1-6H3.
What are the key properties of 2-[2-[3-[2-(dimethylamino)ethylsulfanyl]-4-methylpentyl]cyclohexyl]sulfanyl-N,N-dimethylethanamine?
2-[2-[3-[2-(dimethylamino)ethylsulfanyl]-4-methylpentyl]cyclohexyl]sulfanyl-N,N-dimethylethanamine has a molecular weight of 374.70 g/mol, XLogP of 4.94, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(dimethylamino)ethylsulfanyl]-4-methylpentyl]cyclohexyl]sulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 163268492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).