2-amino-3-(2,5,5-trimethylhexan-3-yloxy)propan-1-ol

C12H27NO2 — CID 138567096

IUPAC2-amino-3-(2,5,5-trimethylhexan-3-yloxy)propan-1-ol
SMILESCC(C)C(CC(C)(C)C)OCC(N)CO
InChIInChI=1S/C12H27NO2/c1-9(2)11(6-12(3,4)5)15-8-10(13)7-14/h9-11,14H,6-8,13H2,1-5H3
InChIKeyQQXUSOMENMSBQC-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.78
Rot. Bonds6

About 2-amino-3-(2,5,5-trimethylhexan-3-yloxy)propan-1-ol

2-amino-3-(2,5,5-trimethylhexan-3-yloxy)propan-1-ol (PubChem CID 138567096) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-amino-3-(2,5,5-trimethylhexan-3-yloxy)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2,5,5-trimethylhexan-3-yloxy)propan-1-ol
PubChem CID138567096
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-amino-3-(2,5,5-trimethylhexan-3-yloxy)propan-1-ol
SMILESCC(C)C(CC(C)(C)C)OCC(N)CO
InChIInChI=1S/C12H27NO2/c1-9(2)11(6-12(3,4)5)15-8-10(13)7-14/h9-11,14H,6-8,13H2,1-5H3
InChIKeyQQXUSOMENMSBQC-UHFFFAOYSA-N
XLogP1.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 55281826
2-amino-3-butan-2-yloxypropan-1-ol
CID 64808148
2-amino-5,7,7-trimethyloctan-1-ol
CID 170891955
2-(2,5,5-trimethylhexan-3-yloxy)ethyl 2-cyanoacetate
CID 143828560
(2R)-4,4-dimethyl-2-propan-2-ylpentan-1-ol
CID 167343792
(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862
(3R)-3-amino-5,5-dimethylhexan-1-ol
CID 58554650
3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
CID 106447308
5,5-dimethyl-1-propan-2-yloxyhexan-2-amine
CID 105140004
3-amino-5,5-dimethylhexan-1-ol;hydrochloride
CID 55255759
2-amino-3-trimethylsilyloxypropan-1-ol
CID 130579064
2-amino-6,6-dimethylheptan-1-ol
CID 88746496

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,5,5-trimethylhexan-3-yloxy)propan-1-ol?
The IUPAC name of 2-amino-3-(2,5,5-trimethylhexan-3-yloxy)propan-1-ol (CID 138567096) is 2-amino-3-(2,5,5-trimethylhexan-3-yloxy)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2,5,5-trimethylhexan-3-yloxy)propan-1-ol?
The canonical SMILES for 2-amino-3-(2,5,5-trimethylhexan-3-yloxy)propan-1-ol is CC(C)C(CC(C)(C)C)OCC(N)CO.
What is the InChIKey of 2-amino-3-(2,5,5-trimethylhexan-3-yloxy)propan-1-ol?
The InChIKey is QQXUSOMENMSBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-9(2)11(6-12(3,4)5)15-8-10(13)7-14/h9-11,14H,6-8,13H2,1-5H3.
What are the key properties of 2-amino-3-(2,5,5-trimethylhexan-3-yloxy)propan-1-ol?
2-amino-3-(2,5,5-trimethylhexan-3-yloxy)propan-1-ol has a molecular weight of 217.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,5,5-trimethylhexan-3-yloxy)propan-1-ol is sourced from PubChem (CID 138567096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).