1-(propan-2-ylamino)propan-2-ol;dihydrochloride

C6H17Cl2NO — CID 21493190

IUPAC1-(propan-2-ylamino)propan-2-ol;dihydrochloride
SMILESCC(O)CNC(C)C.Cl.Cl
InChIInChI=1S/C6H15NO.2ClH/c1-5(2)7-4-6(3)8;;/h5-8H,4H2,1-3H3;2*1H
InChIKeyWDEQJTQWDKTONN-UHFFFAOYSA-N
MW190.11 g/mol
LogP1.21
Rot. Bonds3

About 1-(propan-2-ylamino)propan-2-ol;dihydrochloride

1-(propan-2-ylamino)propan-2-ol;dihydrochloride (PubChem CID 21493190) has the molecular formula C6H17Cl2NO and a molecular weight of 190.11 g/mol. Its IUPAC name is 1-(propan-2-ylamino)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(propan-2-ylamino)propan-2-ol;dihydrochloride
PubChem CID21493190
Molecular FormulaC6H17Cl2NO
Molecular Weight190.11 g/mol
Exact Mass189.07
IUPAC Name1-(propan-2-ylamino)propan-2-ol;dihydrochloride
SMILESCC(O)CNC(C)C.Cl.Cl
InChIInChI=1S/C6H15NO.2ClH/c1-5(2)7-4-6(3)8;;/h5-8H,4H2,1-3H3;2*1H
InChIKeyWDEQJTQWDKTONN-UHFFFAOYSA-N
XLogP1.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.11
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(dichloromethylamino)propan-2-ol
CID 57172655
1-[2-(propan-2-ylamino)ethylamino]propan-2-ol
CID 104594507
1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 172990455
(2S)-3-(propan-2-ylamino)propane-1,2-diol
CID 7019748
(2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol
CID 55298734
(2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol
CID 12624614
1-[(2-methyl-1-sulfanylpropyl)amino]propan-2-ol
CID 123545246
(2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol
CID 94524291
2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 106932287
(2R)-1-[1-(dimethylamino)propan-2-ylamino]propan-2-ol
CID 106932409
1-(propan-2-ylamino)pentan-2-ol
CID 20554634
(2R)-1-[[(2S)-5-methylhexan-2-yl]amino]propan-2-ol
CID 93081921

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)propan-2-ol;dihydrochloride?
The IUPAC name of 1-(propan-2-ylamino)propan-2-ol;dihydrochloride (CID 21493190) is 1-(propan-2-ylamino)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(propan-2-ylamino)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-(propan-2-ylamino)propan-2-ol;dihydrochloride is CC(O)CNC(C)C.Cl.Cl.
What is the InChIKey of 1-(propan-2-ylamino)propan-2-ol;dihydrochloride?
The InChIKey is WDEQJTQWDKTONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.2ClH/c1-5(2)7-4-6(3)8;;/h5-8H,4H2,1-3H3;2*1H.
What are the key properties of 1-(propan-2-ylamino)propan-2-ol;dihydrochloride?
1-(propan-2-ylamino)propan-2-ol;dihydrochloride has a molecular weight of 190.11 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)propan-2-ol;dihydrochloride is sourced from PubChem (CID 21493190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).