1-(tert-butylamino)-3-(methylamino)propan-2-ol;dihydrochloride

C8H22Cl2N2O — CID 2838508

IUPAC1-(tert-butylamino)-3-(methylamino)propan-2-ol;dihydrochloride
SMILESCNCC(O)CNC(C)(C)C.Cl.Cl
InChIInChI=1S/C8H20N2O.2ClH/c1-8(2,3)10-6-7(11)5-9-4;;/h7,9-11H,5-6H2,1-4H3;2*1H
InChIKeyUAUULTDAQJQEHX-UHFFFAOYSA-N
MW233.18 g/mol
LogP0.80
Rot. Bonds4

About 1-(tert-butylamino)-3-(methylamino)propan-2-ol;dihydrochloride

1-(tert-butylamino)-3-(methylamino)propan-2-ol;dihydrochloride (PubChem CID 2838508) has the molecular formula C8H22Cl2N2O and a molecular weight of 233.18 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(methylamino)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(methylamino)propan-2-ol;dihydrochloride
PubChem CID2838508
Molecular FormulaC8H22Cl2N2O
Molecular Weight233.18 g/mol
Exact Mass232.11
IUPAC Name1-(tert-butylamino)-3-(methylamino)propan-2-ol;dihydrochloride
SMILESCNCC(O)CNC(C)(C)C.Cl.Cl
InChIInChI=1S/C8H20N2O.2ClH/c1-8(2,3)10-6-7(11)5-9-4;;/h7,9-11H,5-6H2,1-4H3;2*1H
InChIKeyUAUULTDAQJQEHX-UHFFFAOYSA-N
XLogP0.80
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(methylamino)propan-2-ol;dihydrochloride?
The IUPAC name of 1-(tert-butylamino)-3-(methylamino)propan-2-ol;dihydrochloride (CID 2838508) is 1-(tert-butylamino)-3-(methylamino)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(tert-butylamino)-3-(methylamino)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-(tert-butylamino)-3-(methylamino)propan-2-ol;dihydrochloride is CNCC(O)CNC(C)(C)C.Cl.Cl.
What is the InChIKey of 1-(tert-butylamino)-3-(methylamino)propan-2-ol;dihydrochloride?
The InChIKey is UAUULTDAQJQEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O.2ClH/c1-8(2,3)10-6-7(11)5-9-4;;/h7,9-11H,5-6H2,1-4H3;2*1H.
What are the key properties of 1-(tert-butylamino)-3-(methylamino)propan-2-ol;dihydrochloride?
1-(tert-butylamino)-3-(methylamino)propan-2-ol;dihydrochloride has a molecular weight of 233.18 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(methylamino)propan-2-ol;dihydrochloride is sourced from PubChem (CID 2838508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).