(3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol

C11H25NO — CID 15260996

IUPAC(3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol
SMILESCC(C)(C)[C@H](O)C[C@H](N)C(C)(C)C
InChIInChI=1S/C11H25NO/c1-10(2,3)8(12)7-9(13)11(4,5)6/h8-9,13H,7,12H2,1-6H3/t8-,9+/m0/s1
InChIKeyXYYVNVSVGSELNW-DTWKUNHWSA-N
MW187.33 g/mol
LogP2.16
Rot. Bonds2

About (3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol

(3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol (PubChem CID 15260996) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol
PubChem CID15260996
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol
SMILESCC(C)(C)[C@H](O)C[C@H](N)C(C)(C)C
InChIInChI=1S/C11H25NO/c1-10(2,3)8(12)7-9(13)11(4,5)6/h8-9,13H,7,12H2,1-6H3/t8-,9+/m0/s1
InChIKeyXYYVNVSVGSELNW-DTWKUNHWSA-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 (3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol?
The IUPAC name of (3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol (CID 15260996) is (3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol.
What is the SMILES notation for (3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol?
The canonical SMILES for (3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol is CC(C)(C)[C@H](O)C[C@H](N)C(C)(C)C.
What is the InChIKey of (3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol?
The InChIKey is XYYVNVSVGSELNW-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H25NO/c1-10(2,3)8(12)7-9(13)11(4,5)6/h8-9,13H,7,12H2,1-6H3/t8-,9+/m0/s1.
What are the key properties of (3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol?
(3R,5S)-5-amino-2,2,6,6-tetramethylheptan-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 (3R,5S)-5-amino-2,2,6,6-tetramethylheptan-3-ol is sourced from PubChem (CID 15260996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).