3-(2-aminoethyl)-2,2,4,4-tetramethylpentan-3-ol

C11H25NO — CID 123192207

IUPAC3-(2-aminoethyl)-2,2,4,4-tetramethylpentan-3-ol
SMILESCC(C)(C)C(O)(CCN)C(C)(C)C
InChIInChI=1S/C11H25NO/c1-9(2,3)11(13,7-8-12)10(4,5)6/h13H,7-8,12H2,1-6H3
InChIKeyGGSHZYDHBWUBGM-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.16
Rot. Bonds2

About 3-(2-aminoethyl)-2,2,4,4-tetramethylpentan-3-ol

3-(2-aminoethyl)-2,2,4,4-tetramethylpentan-3-ol (PubChem CID 123192207) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2,2,4,4-tetramethylpentan-3-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-2,2,4,4-tetramethylpentan-3-ol
PubChem CID123192207
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name3-(2-aminoethyl)-2,2,4,4-tetramethylpentan-3-ol
SMILESCC(C)(C)C(O)(CCN)C(C)(C)C
InChIInChI=1S/C11H25NO/c1-9(2,3)11(13,7-8-12)10(4,5)6/h13H,7-8,12H2,1-6H3
InChIKeyGGSHZYDHBWUBGM-UHFFFAOYSA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2,2,4,4-tetramethylpentan-3-ol?
The IUPAC name of 3-(2-aminoethyl)-2,2,4,4-tetramethylpentan-3-ol (CID 123192207) is 3-(2-aminoethyl)-2,2,4,4-tetramethylpentan-3-ol.
What is the SMILES notation for 3-(2-aminoethyl)-2,2,4,4-tetramethylpentan-3-ol?
The canonical SMILES for 3-(2-aminoethyl)-2,2,4,4-tetramethylpentan-3-ol is CC(C)(C)C(O)(CCN)C(C)(C)C.
What is the InChIKey of 3-(2-aminoethyl)-2,2,4,4-tetramethylpentan-3-ol?
The InChIKey is GGSHZYDHBWUBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(2,3)11(13,7-8-12)10(4,5)6/h13H,7-8,12H2,1-6H3.
What are the key properties of 3-(2-aminoethyl)-2,2,4,4-tetramethylpentan-3-ol?
3-(2-aminoethyl)-2,2,4,4-tetramethylpentan-3-ol has a molecular weight of 187.33 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2,2,4,4-tetramethylpentan-3-ol is sourced from PubChem (CID 123192207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).