5,5-dimethyl-6-[(2R)-oxan-2-yl]oxyhexan-1-amine

C13H27NO2 — CID 129364883

IUPAC5,5-dimethyl-6-[(2R)-oxan-2-yl]oxyhexan-1-amine
SMILESCC(C)(CCCCN)CO[C@@H]1CCCCO1
InChIInChI=1S/C13H27NO2/c1-13(2,8-4-5-9-14)11-16-12-7-3-6-10-15-12/h12H,3-11,14H2,1-2H3/t12-/m1/s1
InChIKeyOCDVVHYVRCFDEG-GFCCVEGCSA-N
MW229.36 g/mol
LogP2.68
Rot. Bonds7

About 5,5-dimethyl-6-[(2R)-oxan-2-yl]oxyhexan-1-amine

5,5-dimethyl-6-[(2R)-oxan-2-yl]oxyhexan-1-amine (PubChem CID 129364883) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 5,5-dimethyl-6-[(2R)-oxan-2-yl]oxyhexan-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-6-[(2R)-oxan-2-yl]oxyhexan-1-amine
PubChem CID129364883
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name5,5-dimethyl-6-[(2R)-oxan-2-yl]oxyhexan-1-amine
SMILESCC(C)(CCCCN)CO[C@@H]1CCCCO1
InChIInChI=1S/C13H27NO2/c1-13(2,8-4-5-9-14)11-16-12-7-3-6-10-15-12/h12H,3-11,14H2,1-2H3/t12-/m1/s1
InChIKeyOCDVVHYVRCFDEG-GFCCVEGCSA-N
XLogP2.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,5-dimethyl-6-(oxan-2-yloxy)hexan-1-amine
CID 11586665
2-(2,2-dimethylhexoxy)oxane;ethane
CID 142212056
6,6-dimethyl-7-[(2R)-oxan-2-yl]oxyheptanenitrile
CID 129364886
2-[2,2,13,13-tetramethyl-14-(oxan-2-yloxy)tetradecoxy]oxane;2,2,13,13-tetramethyltetradecane-1,6,9,14-tetrol
CID 159010066
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-methyl-2-[4-(oxan-2-yloxy)butyl]propane-1,3-diamine
CID 19088341
disodium;2-(6-bromo-2,2-dimethylhexoxy)oxane;2-[6-[5,5-dimethyl-6-(oxan-2-yloxy)hexyl]sulfanyl-2,2-dimethylhexoxy]oxane;6-(6-hydroxy-5,5-dimethylhexyl)sulfanyl-2,2-dimethylhexan-1-ol;sulfanide
CID 157116776
CID 88913892
CID 88913892
2-methyl-6-(oxan-2-yloxy)hexan-2-ol
CID 10727469
2-(4,4-dimethylpentoxy)oxane
CID 59628221
2-[2,2-dimethyl-6-(1H-phenalen-1-yl)hexoxy]oxane
CID 175367647
6-amino-2-[3-(oxan-2-yloxy)propyl]hexan-1-ol
CID 14986683

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-6-[(2R)-oxan-2-yl]oxyhexan-1-amine?
The IUPAC name of 5,5-dimethyl-6-[(2R)-oxan-2-yl]oxyhexan-1-amine (CID 129364883) is 5,5-dimethyl-6-[(2R)-oxan-2-yl]oxyhexan-1-amine.
What is the SMILES notation for 5,5-dimethyl-6-[(2R)-oxan-2-yl]oxyhexan-1-amine?
The canonical SMILES for 5,5-dimethyl-6-[(2R)-oxan-2-yl]oxyhexan-1-amine is CC(C)(CCCCN)CO[C@@H]1CCCCO1.
What is the InChIKey of 5,5-dimethyl-6-[(2R)-oxan-2-yl]oxyhexan-1-amine?
The InChIKey is OCDVVHYVRCFDEG-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H27NO2/c1-13(2,8-4-5-9-14)11-16-12-7-3-6-10-15-12/h12H,3-11,14H2,1-2H3/t12-/m1/s1.
What are the key properties of 5,5-dimethyl-6-[(2R)-oxan-2-yl]oxyhexan-1-amine?
5,5-dimethyl-6-[(2R)-oxan-2-yl]oxyhexan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-6-[(2R)-oxan-2-yl]oxyhexan-1-amine is sourced from PubChem (CID 129364883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).