2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol

C7H17NO3 — CID 21462313

IUPAC2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol
SMILESCC(C)NC(CO)(CO)CO
InChIInChI=1S/C7H17NO3/c1-6(2)8-7(3-9,4-10)5-11/h6,8-11H,3-5H2,1-2H3
InChIKeyZCWPJBVYVJVEMX-UHFFFAOYSA-N
MW163.22 g/mol
LogP-1.30
Rot. Bonds5

About 2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol

2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol (PubChem CID 21462313) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol
PubChem CID21462313
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol
SMILESCC(C)NC(CO)(CO)CO
InChIInChI=1S/C7H17NO3/c1-6(2)8-7(3-9,4-10)5-11/h6,8-11H,3-5H2,1-2H3
InChIKeyZCWPJBVYVJVEMX-UHFFFAOYSA-N
XLogP-1.30
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(tert-Butylamino)ethanol
CID 78361
2-(Isopropylamino)ethanol
CID 7994
2-[(2-Hydroxyethyl)amino]-2-(hydroxymethyl)-1,3-propanediol
CID 81798
2-Methyl-2-methylamino-1-propanol
CID 422780
2-(Ethylamino)-2-methylpropan-1-ol
CID 15105174
2-((Hydroxymethyl)amino)-2-methylpropanol
CID 62014
2-[2-[(2-Hydroxy-1,1-dimethyl-ethyl)amino]ethylamino]-2-methyl-propan-1-ol
CID 225578
(2S)-2-(methylamino)propan-1-ol
CID 12695786
2-(Methylamino)propane-1,3-diol
CID 20545753
2-Methyl-2-(propan-2-ylamino)propan-1-ol
CID 15105175
2-(Ethylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 1532701
2-[(2-Hydroxyethyl)amino]-2-methylpropan-1-ol
CID 2777768

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol (CID 21462313) is 2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol is CC(C)NC(CO)(CO)CO.
What is the InChIKey of 2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol?
The InChIKey is ZCWPJBVYVJVEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3/c1-6(2)8-7(3-9,4-10)5-11/h6,8-11H,3-5H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol?
2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol has a molecular weight of 163.22 g/mol, XLogP of -1.30, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol is sourced from PubChem (CID 21462313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).