1-(2-hydroxypropan-2-ylamino)-2-methylpropan-1-ol;hydrate

C7H19NO3 — CID 173445935

IUPAC1-(2-hydroxypropan-2-ylamino)-2-methylpropan-1-ol;hydrate
SMILESCC(C)C(O)NC(C)(C)O.O
InChIInChI=1S/C7H17NO2.H2O/c1-5(2)6(9)8-7(3,4)10;/h5-6,8-10H,1-4H3;1H2
InChIKeyISZBLEOALAJGEM-UHFFFAOYSA-N
MW165.23 g/mol
LogP-0.55
Rot. Bonds3

About 1-(2-hydroxypropan-2-ylamino)-2-methylpropan-1-ol;hydrate

1-(2-hydroxypropan-2-ylamino)-2-methylpropan-1-ol;hydrate (PubChem CID 173445935) has the molecular formula C7H19NO3 and a molecular weight of 165.23 g/mol. Its IUPAC name is 1-(2-hydroxypropan-2-ylamino)-2-methylpropan-1-ol;hydrate.

Molecular Properties

Compound Name1-(2-hydroxypropan-2-ylamino)-2-methylpropan-1-ol;hydrate
PubChem CID173445935
Molecular FormulaC7H19NO3
Molecular Weight165.23 g/mol
Exact Mass165.14
IUPAC Name1-(2-hydroxypropan-2-ylamino)-2-methylpropan-1-ol;hydrate
SMILESCC(C)C(O)NC(C)(C)O.O
InChIInChI=1S/C7H17NO2.H2O/c1-5(2)6(9)8-7(3,4)10;/h5-6,8-10H,1-4H3;1H2
InChIKeyISZBLEOALAJGEM-UHFFFAOYSA-N
XLogP-0.55
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(tert-butylamino)-2-methylpropan-1-ol
CID 23232997
methanol;2-methylpropan-2-ol;bis(propan-2-ol)
CID 173031794
1-(1,1-dihydroxyethylamino)propane-1,2-diol
CID 168864563
3-tert-butyl-4,4-dimethylpentan-2-ol
CID 59805518
2-(pentan-3-ylamino)propan-2-ol
CID 173163807
1-amino-1-(1-hydroxyethylamino)ethanol
CID 57311294
1-(tert-butylamino)-2-chloropropan-1-ol
CID 88799444
2-methyl-1-(propan-2-ylamino)propan-1-ol;hydrochloride
CID 71342395
ethanol;methanol;2-methylpropan-2-ol;propan-2-ol
CID 157184290
3-(1-hydroxyethyl)-2,4-dimethylpentane-2,4-diol
CID 87799633
bis((2S)-1-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol);2-methylpropan-2-ol;zirconium;dihydrate
CID 134991132
tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate
CID 23292073

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropan-2-ylamino)-2-methylpropan-1-ol;hydrate?
The IUPAC name of 1-(2-hydroxypropan-2-ylamino)-2-methylpropan-1-ol;hydrate (CID 173445935) is 1-(2-hydroxypropan-2-ylamino)-2-methylpropan-1-ol;hydrate.
What is the SMILES notation for 1-(2-hydroxypropan-2-ylamino)-2-methylpropan-1-ol;hydrate?
The canonical SMILES for 1-(2-hydroxypropan-2-ylamino)-2-methylpropan-1-ol;hydrate is CC(C)C(O)NC(C)(C)O.O.
What is the InChIKey of 1-(2-hydroxypropan-2-ylamino)-2-methylpropan-1-ol;hydrate?
The InChIKey is ISZBLEOALAJGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2.H2O/c1-5(2)6(9)8-7(3,4)10;/h5-6,8-10H,1-4H3;1H2.
What are the key properties of 1-(2-hydroxypropan-2-ylamino)-2-methylpropan-1-ol;hydrate?
1-(2-hydroxypropan-2-ylamino)-2-methylpropan-1-ol;hydrate has a molecular weight of 165.23 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropan-2-ylamino)-2-methylpropan-1-ol;hydrate is sourced from PubChem (CID 173445935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).