N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine

C24H48N2S2 — CID 44522692

IUPACN,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCCC(CSC1CCCCC1)N(C)CCN(C)C(CC)CSC1CCCCC1
InChIInChI=1S/C24H48N2S2/c1-5-21(19-27-23-13-9-7-10-14-23)25(3)17-18-26(4)22(6-2)20-28-24-15-11-8-12-16-24/h21-24H,5-20H2,1-4H3
InChIKeyQUYWUVSZRQBGJS-UHFFFAOYSA-N
MW428.80 g/mol
LogP6.54
Rot. Bonds13

About N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine

N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 44522692) has the molecular formula C24H48N2S2 and a molecular weight of 428.80 g/mol. Its IUPAC name is N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine
PubChem CID44522692
Molecular FormulaC24H48N2S2
Molecular Weight428.80 g/mol
Exact Mass428.33
IUPAC NameN,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCCC(CSC1CCCCC1)N(C)CCN(C)C(CC)CSC1CCCCC1
InChIInChI=1S/C24H48N2S2/c1-5-21(19-27-23-13-9-7-10-14-23)25(3)17-18-26(4)22(6-2)20-28-24-15-11-8-12-16-24/h21-24H,5-20H2,1-4H3
InChIKeyQUYWUVSZRQBGJS-UHFFFAOYSA-N
XLogP6.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.80
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine (CID 44522692) is N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine is CCC(CSC1CCCCC1)N(C)CCN(C)C(CC)CSC1CCCCC1.
What is the InChIKey of N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is QUYWUVSZRQBGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2S2/c1-5-21(19-27-23-13-9-7-10-14-23)25(3)17-18-26(4)22(6-2)20-28-24-15-11-8-12-16-24/h21-24H,5-20H2,1-4H3.
What are the key properties of N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine?
N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 428.80 g/mol, XLogP of 6.54, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 44522692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).