3-[(3-hydroxy-2,2-dimethylpropyl)amino]-2,2-dimethylpropan-1-ol

C10H23NO2 — CID 15055101

IUPAC3-[(3-hydroxy-2,2-dimethylpropyl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCC(C)(C)CO
InChIInChI=1S/C10H23NO2/c1-9(2,7-12)5-11-6-10(3,4)8-13/h11-13H,5-8H2,1-4H3
InChIKeyCSBUKHOGPOQEPW-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.61
Rot. Bonds6

About 3-[(3-hydroxy-2,2-dimethylpropyl)amino]-2,2-dimethylpropan-1-ol

3-[(3-hydroxy-2,2-dimethylpropyl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 15055101) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-[(3-hydroxy-2,2-dimethylpropyl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-hydroxy-2,2-dimethylpropyl)amino]-2,2-dimethylpropan-1-ol
PubChem CID15055101
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name3-[(3-hydroxy-2,2-dimethylpropyl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCC(C)(C)CO
InChIInChI=1S/C10H23NO2/c1-9(2,7-12)5-11-6-10(3,4)8-13/h11-13H,5-8H2,1-4H3
InChIKeyCSBUKHOGPOQEPW-UHFFFAOYSA-N
XLogP0.61
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-2,2-dimethylpropyl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(3-hydroxy-2,2-dimethylpropyl)amino]-2,2-dimethylpropan-1-ol (CID 15055101) is 3-[(3-hydroxy-2,2-dimethylpropyl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(3-hydroxy-2,2-dimethylpropyl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(3-hydroxy-2,2-dimethylpropyl)amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNCC(C)(C)CO.
What is the InChIKey of 3-[(3-hydroxy-2,2-dimethylpropyl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is CSBUKHOGPOQEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-9(2,7-12)5-11-6-10(3,4)8-13/h11-13H,5-8H2,1-4H3.
What are the key properties of 3-[(3-hydroxy-2,2-dimethylpropyl)amino]-2,2-dimethylpropan-1-ol?
3-[(3-hydroxy-2,2-dimethylpropyl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 189.30 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-2,2-dimethylpropyl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 15055101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).