N-[2-[2-(tert-butylamino)ethyldisulfanyl]ethyl]-2-methylpropan-2-amine;dihydrochloride

C12H30Cl2N2S2 — CID 52944189

IUPACN-[2-[2-(tert-butylamino)ethyldisulfanyl]ethyl]-2-methylpropan-2-amine;dihydrochloride
SMILESCC(C)(C)NCCSSCCNC(C)(C)C.Cl.Cl
InChIInChI=1S/C12H28N2S2.2ClH/c1-11(2,3)13-7-9-15-16-10-8-14-12(4,5)6;;/h13-14H,7-10H2,1-6H3;2*1H
InChIKeyLIWHWRLNBVUYOD-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.99
Rot. Bonds7

About N-[2-[2-(tert-butylamino)ethyldisulfanyl]ethyl]-2-methylpropan-2-amine;dihydrochloride

N-[2-[2-(tert-butylamino)ethyldisulfanyl]ethyl]-2-methylpropan-2-amine;dihydrochloride (PubChem CID 52944189) has the molecular formula C12H30Cl2N2S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[2-[2-(tert-butylamino)ethyldisulfanyl]ethyl]-2-methylpropan-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-[2-[2-(tert-butylamino)ethyldisulfanyl]ethyl]-2-methylpropan-2-amine;dihydrochloride
PubChem CID52944189
Molecular FormulaC12H30Cl2N2S2
Molecular Weight337.43 g/mol
Exact Mass336.12
IUPAC NameN-[2-[2-(tert-butylamino)ethyldisulfanyl]ethyl]-2-methylpropan-2-amine;dihydrochloride
SMILESCC(C)(C)NCCSSCCNC(C)(C)C.Cl.Cl
InChIInChI=1S/C12H28N2S2.2ClH/c1-11(2,3)13-7-9-15-16-10-8-14-12(4,5)6;;/h13-14H,7-10H2,1-6H3;2*1H
InChIKeyLIWHWRLNBVUYOD-UHFFFAOYSA-N
XLogP3.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(tert-butylamino)ethyldisulfanyl]ethyl]-2-methylpropan-2-amine;dihydrochloride?
The IUPAC name of N-[2-[2-(tert-butylamino)ethyldisulfanyl]ethyl]-2-methylpropan-2-amine;dihydrochloride (CID 52944189) is N-[2-[2-(tert-butylamino)ethyldisulfanyl]ethyl]-2-methylpropan-2-amine;dihydrochloride.
What is the SMILES notation for N-[2-[2-(tert-butylamino)ethyldisulfanyl]ethyl]-2-methylpropan-2-amine;dihydrochloride?
The canonical SMILES for N-[2-[2-(tert-butylamino)ethyldisulfanyl]ethyl]-2-methylpropan-2-amine;dihydrochloride is CC(C)(C)NCCSSCCNC(C)(C)C.Cl.Cl.
What is the InChIKey of N-[2-[2-(tert-butylamino)ethyldisulfanyl]ethyl]-2-methylpropan-2-amine;dihydrochloride?
The InChIKey is LIWHWRLNBVUYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2S2.2ClH/c1-11(2,3)13-7-9-15-16-10-8-14-12(4,5)6;;/h13-14H,7-10H2,1-6H3;2*1H.
What are the key properties of N-[2-[2-(tert-butylamino)ethyldisulfanyl]ethyl]-2-methylpropan-2-amine;dihydrochloride?
N-[2-[2-(tert-butylamino)ethyldisulfanyl]ethyl]-2-methylpropan-2-amine;dihydrochloride has a molecular weight of 337.43 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(tert-butylamino)ethyldisulfanyl]ethyl]-2-methylpropan-2-amine;dihydrochloride is sourced from PubChem (CID 52944189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).