2,2-bis(2-aminopropan-2-yl)propane-1,3-diol

C9H22N2O2 — CID 88802194

IUPAC2,2-bis(2-aminopropan-2-yl)propane-1,3-diol
SMILESCC(C)(N)C(CO)(CO)C(C)(C)N
InChIInChI=1S/C9H22N2O2/c1-7(2,10)9(5-12,6-13)8(3,4)11/h12-13H,5-6,10-11H2,1-4H3
InChIKeyULFTXCWZLAEEJF-UHFFFAOYSA-N
MW190.29 g/mol
LogP-0.57
Rot. Bonds4

About 2,2-bis(2-aminopropan-2-yl)propane-1,3-diol

2,2-bis(2-aminopropan-2-yl)propane-1,3-diol (PubChem CID 88802194) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2,2-bis(2-aminopropan-2-yl)propane-1,3-diol.

Molecular Properties

Compound Name2,2-bis(2-aminopropan-2-yl)propane-1,3-diol
PubChem CID88802194
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name2,2-bis(2-aminopropan-2-yl)propane-1,3-diol
SMILESCC(C)(N)C(CO)(CO)C(C)(C)N
InChIInChI=1S/C9H22N2O2/c1-7(2,10)9(5-12,6-13)8(3,4)11/h12-13H,5-6,10-11H2,1-4H3
InChIKeyULFTXCWZLAEEJF-UHFFFAOYSA-N
XLogP-0.57
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methylpropane-1,3-diol;azane
CID 172847501
2-amino-2-methylpropane-1,3-diol;hydrate
CID 173189946
2-amino-2-methanidylpropan-1-ol;gold(1+)
CID 88844237
(2S)-2-amino-2,3,3-trimethylbutan-1-ol
CID 45072298
2-amino-2-methylpropan-1-ol;carbonic acid
CID 21330274
2-tert-butyl-2-ethyl-3,3-dimethylbutan-1-ol
CID 139931222
(2S)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol
CID 96565633
2-amino-2-methylpropane-1,3-diol;propan-2-ol
CID 18519501
2-amino-2-(dimethylamino)propan-1-ol
CID 169080218
2-amino-1,1-dideuterio-2-methylpropan-1-ol
CID 140648531
alumane;2,2-dimethylpropan-1-ol
CID 174479314
1-amino-1-sulfanylethanol
CID 87381402

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-aminopropan-2-yl)propane-1,3-diol?
The IUPAC name of 2,2-bis(2-aminopropan-2-yl)propane-1,3-diol (CID 88802194) is 2,2-bis(2-aminopropan-2-yl)propane-1,3-diol.
What is the SMILES notation for 2,2-bis(2-aminopropan-2-yl)propane-1,3-diol?
The canonical SMILES for 2,2-bis(2-aminopropan-2-yl)propane-1,3-diol is CC(C)(N)C(CO)(CO)C(C)(C)N.
What is the InChIKey of 2,2-bis(2-aminopropan-2-yl)propane-1,3-diol?
The InChIKey is ULFTXCWZLAEEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-7(2,10)9(5-12,6-13)8(3,4)11/h12-13H,5-6,10-11H2,1-4H3.
What are the key properties of 2,2-bis(2-aminopropan-2-yl)propane-1,3-diol?
2,2-bis(2-aminopropan-2-yl)propane-1,3-diol has a molecular weight of 190.29 g/mol, XLogP of -0.57, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-aminopropan-2-yl)propane-1,3-diol is sourced from PubChem (CID 88802194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).