N-[2-[2-(tert-butylamino)ethylsulfanyl]ethyl]-2-methylpropan-2-amine

C12H28N2S — CID 13318918

IUPACN-[2-[2-(tert-butylamino)ethylsulfanyl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCSCCNC(C)(C)C
InChIInChI=1S/C12H28N2S/c1-11(2,3)13-7-9-15-10-8-14-12(4,5)6/h13-14H,7-10H2,1-6H3
InChIKeyPYCOQQFUNQCECL-UHFFFAOYSA-N
MW232.44 g/mol
LogP2.50
Rot. Bonds6

About N-[2-[2-(tert-butylamino)ethylsulfanyl]ethyl]-2-methylpropan-2-amine

N-[2-[2-(tert-butylamino)ethylsulfanyl]ethyl]-2-methylpropan-2-amine (PubChem CID 13318918) has the molecular formula C12H28N2S and a molecular weight of 232.44 g/mol. Its IUPAC name is N-[2-[2-(tert-butylamino)ethylsulfanyl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(tert-butylamino)ethylsulfanyl]ethyl]-2-methylpropan-2-amine
PubChem CID13318918
Molecular FormulaC12H28N2S
Molecular Weight232.44 g/mol
Exact Mass232.20
IUPAC NameN-[2-[2-(tert-butylamino)ethylsulfanyl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCSCCNC(C)(C)C
InChIInChI=1S/C12H28N2S/c1-11(2,3)13-7-9-15-10-8-14-12(4,5)6/h13-14H,7-10H2,1-6H3
InChIKeyPYCOQQFUNQCECL-UHFFFAOYSA-N
XLogP2.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(tert-butylamino)ethylsulfanyl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[2-(tert-butylamino)ethylsulfanyl]ethyl]-2-methylpropan-2-amine (CID 13318918) is N-[2-[2-(tert-butylamino)ethylsulfanyl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[2-(tert-butylamino)ethylsulfanyl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[2-(tert-butylamino)ethylsulfanyl]ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCSCCNC(C)(C)C.
What is the InChIKey of N-[2-[2-(tert-butylamino)ethylsulfanyl]ethyl]-2-methylpropan-2-amine?
The InChIKey is PYCOQQFUNQCECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2S/c1-11(2,3)13-7-9-15-10-8-14-12(4,5)6/h13-14H,7-10H2,1-6H3.
What are the key properties of N-[2-[2-(tert-butylamino)ethylsulfanyl]ethyl]-2-methylpropan-2-amine?
N-[2-[2-(tert-butylamino)ethylsulfanyl]ethyl]-2-methylpropan-2-amine has a molecular weight of 232.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(tert-butylamino)ethylsulfanyl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 13318918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).