5-amino-2,2,6,6-tetramethylheptan-3-ol

C11H25NO — CID 18738413

IUPAC5-amino-2,2,6,6-tetramethylheptan-3-ol
SMILESCC(C)(C)C(N)CC(O)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
InChIKeyXYYVNVSVGSELNW-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.16
Rot. Bonds2

About 5-amino-2,2,6,6-tetramethylheptan-3-ol

5-amino-2,2,6,6-tetramethylheptan-3-ol (PubChem CID 18738413) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 5-amino-2,2,6,6-tetramethylheptan-3-ol.

Molecular Properties

Compound Name5-amino-2,2,6,6-tetramethylheptan-3-ol
PubChem CID18738413
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name5-amino-2,2,6,6-tetramethylheptan-3-ol
SMILESCC(C)(C)C(N)CC(O)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
InChIKeyXYYVNVSVGSELNW-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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Related Compounds

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CID 203376
(1-(1-Amino-2-methylpropyl)cyclobutyl)methanol
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3-Amino-1-cyclobutyl-2,2-dimethylpropan-1-OL
CID 80487110
2-Amino-5,5-dimethylhexane-1,4-diol
CID 112756513
3-Amino-2,2,4,4-tetramethylcyclobutan-1-ol hydrochloride
CID 138987813
2-Aminomethyl-2-propylpentane-1-ol
CID 23120774
3-Amino-2,2-dimethylcyclobutanol
CID 75481529
(2R,1'S,3'R)-N-(1-tert-Butyl-3-hydroxypentyl)-2-methylpropane-2-sulfinamide
CID 50999218
(2R,1'R,3'R)-N-(1-tert-Butyl-3-hydroxypentyl)-2-methylpropane-2-sulfinamide
CID 50999219
(5R)-5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol
CID 11601119
(3R,5R)-5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol
CID 12164124
(3S,5R)-5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol
CID 12164125

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,2,6,6-tetramethylheptan-3-ol?
The IUPAC name of 5-amino-2,2,6,6-tetramethylheptan-3-ol (CID 18738413) is 5-amino-2,2,6,6-tetramethylheptan-3-ol.
What is the SMILES notation for 5-amino-2,2,6,6-tetramethylheptan-3-ol?
The canonical SMILES for 5-amino-2,2,6,6-tetramethylheptan-3-ol is CC(C)(C)C(N)CC(O)C(C)(C)C.
What is the InChIKey of 5-amino-2,2,6,6-tetramethylheptan-3-ol?
The InChIKey is XYYVNVSVGSELNW-UHFFFAOYSA-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.
What are the key properties of 5-amino-2,2,6,6-tetramethylheptan-3-ol?
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 5-amino-2,2,6,6-tetramethylheptan-3-ol is sourced from PubChem (CID 18738413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).