2-amino-6,8,8-trimethylnonane-1,3-diol

C12H27NO2 — CID 154946072

IUPAC2-amino-6,8,8-trimethylnonane-1,3-diol
SMILESCC(CCC(O)C(N)CO)CC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-9(7-12(2,3)4)5-6-11(15)10(13)8-14/h9-11,14-15H,5-8,13H2,1-4H3
InChIKeyGBGNUCLZRHZHSN-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.52
Rot. Bonds6

About 2-amino-6,8,8-trimethylnonane-1,3-diol

2-amino-6,8,8-trimethylnonane-1,3-diol (PubChem CID 154946072) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-amino-6,8,8-trimethylnonane-1,3-diol.

Molecular Properties

Compound Name2-amino-6,8,8-trimethylnonane-1,3-diol
PubChem CID154946072
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-amino-6,8,8-trimethylnonane-1,3-diol
SMILESCC(CCC(O)C(N)CO)CC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-9(7-12(2,3)4)5-6-11(15)10(13)8-14/h9-11,14-15H,5-8,13H2,1-4H3
InChIKeyGBGNUCLZRHZHSN-UHFFFAOYSA-N
XLogP1.52
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2,2,4,8,10,10-hexamethylundecane
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(2S,3R)-2-aminopentane-1,3-diol
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(2S)-2-aminopentadecane-1,3-diol
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2-aminopentadecane-1,3-diol
CID 56979816
(2S,3R)-2-aminodocosane-1,3-diol
CID 10247786
2-(4,4-dimethylpent-2-enyl)-5,7,7-trimethyloctan-1-ol
CID 168877642
(2S,3S,5S,6S)-2,6-diaminoheptane-1,3,5,7-tetrol
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2-(3,5,5-trimethylhexoxy)ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-amino-6,8,8-trimethylnonane-1,3-diol?
The IUPAC name of 2-amino-6,8,8-trimethylnonane-1,3-diol (CID 154946072) is 2-amino-6,8,8-trimethylnonane-1,3-diol.
What is the SMILES notation for 2-amino-6,8,8-trimethylnonane-1,3-diol?
The canonical SMILES for 2-amino-6,8,8-trimethylnonane-1,3-diol is CC(CCC(O)C(N)CO)CC(C)(C)C.
What is the InChIKey of 2-amino-6,8,8-trimethylnonane-1,3-diol?
The InChIKey is GBGNUCLZRHZHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-9(7-12(2,3)4)5-6-11(15)10(13)8-14/h9-11,14-15H,5-8,13H2,1-4H3.
What are the key properties of 2-amino-6,8,8-trimethylnonane-1,3-diol?
2-amino-6,8,8-trimethylnonane-1,3-diol has a molecular weight of 217.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,8,8-trimethylnonane-1,3-diol is sourced from PubChem (CID 154946072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).