2-methyl-N-(2-methylpropyl)-N-sulfinatopropan-1-amine;rubidium(1+)

C8H18NO2RbS — CID 59450894

IUPAC2-methyl-N-(2-methylpropyl)-N-sulfinatopropan-1-amine;rubidium(1+)
SMILESCC(C)CN(CC(C)C)[S-](=O)=O.[Rb+]
InChIInChI=1S/C8H18NO2S.Rb/c1-7(2)5-9(12(10)11)6-8(3)4;/h7-8H,5-6H2,1-4H3;/q-1;+1
InChIKeyYOVWUXRZJYUSKJ-UHFFFAOYSA-N
MW277.77 g/mol
LogP-1.17
Rot. Bonds5

About 2-methyl-N-(2-methylpropyl)-N-sulfinatopropan-1-amine;rubidium(1+)

2-methyl-N-(2-methylpropyl)-N-sulfinatopropan-1-amine;rubidium(1+) (PubChem CID 59450894) has the molecular formula C8H18NO2RbS and a molecular weight of 277.77 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-N-sulfinatopropan-1-amine;rubidium(1+).

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-N-sulfinatopropan-1-amine;rubidium(1+)
PubChem CID59450894
Molecular FormulaC8H18NO2RbS
Molecular Weight277.77 g/mol
Exact Mass277.02
IUPAC Name2-methyl-N-(2-methylpropyl)-N-sulfinatopropan-1-amine;rubidium(1+)
SMILESCC(C)CN(CC(C)C)[S-](=O)=O.[Rb+]
InChIInChI=1S/C8H18NO2S.Rb/c1-7(2)5-9(12(10)11)6-8(3)4;/h7-8H,5-6H2,1-4H3;/q-1;+1
InChIKeyYOVWUXRZJYUSKJ-UHFFFAOYSA-N
XLogP-1.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 5-1.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-N-sulfinatopropan-1-amine;rubidium(1+)?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-N-sulfinatopropan-1-amine;rubidium(1+) (CID 59450894) is 2-methyl-N-(2-methylpropyl)-N-sulfinatopropan-1-amine;rubidium(1+).
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-N-sulfinatopropan-1-amine;rubidium(1+)?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-N-sulfinatopropan-1-amine;rubidium(1+) is CC(C)CN(CC(C)C)[S-](=O)=O.[Rb+].
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-N-sulfinatopropan-1-amine;rubidium(1+)?
The InChIKey is YOVWUXRZJYUSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO2S.Rb/c1-7(2)5-9(12(10)11)6-8(3)4;/h7-8H,5-6H2,1-4H3;/q-1;+1.
What are the key properties of 2-methyl-N-(2-methylpropyl)-N-sulfinatopropan-1-amine;rubidium(1+)?
2-methyl-N-(2-methylpropyl)-N-sulfinatopropan-1-amine;rubidium(1+) has a molecular weight of 277.77 g/mol, XLogP of -1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-N-sulfinatopropan-1-amine;rubidium(1+) is sourced from PubChem (CID 59450894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).