1-[2-(dimethylamino)butyldisulfanyl]-N,N-dimethylbutan-2-amine

C12H28N2S2 — CID 139604826

IUPAC1-[2-(dimethylamino)butyldisulfanyl]-N,N-dimethylbutan-2-amine
SMILESCCC(CSSCC(CC)N(C)C)N(C)C
InChIInChI=1S/C12H28N2S2/c1-7-11(13(3)4)9-15-16-10-12(8-2)14(5)6/h11-12H,7-10H2,1-6H3
InChIKeyGXKGEEAUVRBVHH-UHFFFAOYSA-N
MW264.50 g/mol
LogP3.05
Rot. Bonds9

About 1-[2-(dimethylamino)butyldisulfanyl]-N,N-dimethylbutan-2-amine

1-[2-(dimethylamino)butyldisulfanyl]-N,N-dimethylbutan-2-amine (PubChem CID 139604826) has the molecular formula C12H28N2S2 and a molecular weight of 264.50 g/mol. Its IUPAC name is 1-[2-(dimethylamino)butyldisulfanyl]-N,N-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)butyldisulfanyl]-N,N-dimethylbutan-2-amine
PubChem CID139604826
Molecular FormulaC12H28N2S2
Molecular Weight264.50 g/mol
Exact Mass264.17
IUPAC Name1-[2-(dimethylamino)butyldisulfanyl]-N,N-dimethylbutan-2-amine
SMILESCCC(CSSCC(CC)N(C)C)N(C)C
InChIInChI=1S/C12H28N2S2/c1-7-11(13(3)4)9-15-16-10-12(8-2)14(5)6/h11-12H,7-10H2,1-6H3
InChIKeyGXKGEEAUVRBVHH-UHFFFAOYSA-N
XLogP3.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.50
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyloct-7-en-3-amine
CID 142842178
2-N,2-N-dimethylbutane-1,2-diamine;dihydrochloride
CID 43810640
N,N-dimethyl-5-methylsulfanylhexan-3-amine
CID 177172917
1-chloro-N,N-dimethylpentan-3-amine
CID 116907512
2-N,2-N-dimethyl-1-N-pentan-3-ylbutane-1,2-diamine
CID 115714146
2-(dimethylamino)-3-hydroxysulfanylpropane-1-thiol
CID 71371398
2-(dimethylamino)-3-ethylsulfanylpropan-1-ol
CID 130146681
6-chloro-N,N,5-trimethylhexan-3-amine
CID 88740860
2-(dimethylamino)pentane-1-thiol
CID 116908743
N,N-dimethylheptan-4-amine;hydrochloride
CID 138400485
N,N-dimethyl-1-phenylbutan-2-amine
CID 14527584
N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 103067950

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)butyldisulfanyl]-N,N-dimethylbutan-2-amine?
The IUPAC name of 1-[2-(dimethylamino)butyldisulfanyl]-N,N-dimethylbutan-2-amine (CID 139604826) is 1-[2-(dimethylamino)butyldisulfanyl]-N,N-dimethylbutan-2-amine.
What is the SMILES notation for 1-[2-(dimethylamino)butyldisulfanyl]-N,N-dimethylbutan-2-amine?
The canonical SMILES for 1-[2-(dimethylamino)butyldisulfanyl]-N,N-dimethylbutan-2-amine is CCC(CSSCC(CC)N(C)C)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)butyldisulfanyl]-N,N-dimethylbutan-2-amine?
The InChIKey is GXKGEEAUVRBVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2S2/c1-7-11(13(3)4)9-15-16-10-12(8-2)14(5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 1-[2-(dimethylamino)butyldisulfanyl]-N,N-dimethylbutan-2-amine?
1-[2-(dimethylamino)butyldisulfanyl]-N,N-dimethylbutan-2-amine has a molecular weight of 264.50 g/mol, XLogP of 3.05, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)butyldisulfanyl]-N,N-dimethylbutan-2-amine is sourced from PubChem (CID 139604826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).