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

C24H49ClN2S2 — CID 44522691

IUPACN,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCCC(CSC1CCCCC1)N(C)CCN(C)C(CC)CSC1CCCCC1.Cl
InChIInChI=1S/C24H48N2S2.ClH/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;1H
InChIKeyDUVNXKIUOQRPRI-UHFFFAOYSA-N
MW465.26 g/mol
LogP6.96
Rot. Bonds13

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

N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride (PubChem CID 44522691) has the molecular formula C24H49ClN2S2 and a molecular weight of 465.26 g/mol. Its IUPAC name is N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride
PubChem CID44522691
Molecular FormulaC24H49ClN2S2
Molecular Weight465.26 g/mol
Exact Mass464.30
IUPAC NameN,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCCC(CSC1CCCCC1)N(C)CCN(C)C(CC)CSC1CCCCC1.Cl
InChIInChI=1S/C24H48N2S2.ClH/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;1H
InChIKeyDUVNXKIUOQRPRI-UHFFFAOYSA-N
XLogP6.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.26
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 44522692

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride?
The IUPAC name of N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride (CID 44522691) is N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride is CCC(CSC1CCCCC1)N(C)CCN(C)C(CC)CSC1CCCCC1.Cl.
What is the InChIKey of N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride?
The InChIKey is DUVNXKIUOQRPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2S2.ClH/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;1H.
What are the key properties of N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride?
N,N'-bis(1-cyclohexylsulfanylbutan-2-yl)-N,N'-dimethylethane-1,2-diamine;hydrochloride has a molecular weight of 465.26 g/mol, XLogP of 6.96, 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;hydrochloride is sourced from PubChem (CID 44522691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).