trans-(1R,2R)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)cyclohexan-1-ol

C15H27NO3 — CID 154755007

IUPACtrans-(1R,2R)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1NCC1CCC2(CC1)OCCO2
InChIInChI=1S/C15H27NO3/c17-14-4-2-1-3-13(14)16-11-12-5-7-15(8-6-12)18-9-10-19-15/h12-14,16-17H,1-11H2/t13-,14-/m1/s1
InChIKeyALPSFAWWZILORN-ZIAGYGMSSA-N
MW269.38 g/mol
LogP1.81
Rot. Bonds3

About trans-(1R,2R)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)cyclohexan-1-ol (PubChem CID 154755007) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)cyclohexan-1-ol
PubChem CID154755007
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametrans-(1R,2R)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1NCC1CCC2(CC1)OCCO2
InChIInChI=1S/C15H27NO3/c17-14-4-2-1-3-13(14)16-11-12-5-7-15(8-6-12)18-9-10-19-15/h12-14,16-17H,1-11H2/t13-,14-/m1/s1
InChIKeyALPSFAWWZILORN-ZIAGYGMSSA-N
XLogP1.81
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)cyclohexan-1-ol (CID 154755007) is trans-(1R,2R)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1NCC1CCC2(CC1)OCCO2.
What is the InChIKey of trans-(1R,2R)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)cyclohexan-1-ol?
The InChIKey is ALPSFAWWZILORN-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H27NO3/c17-14-4-2-1-3-13(14)16-11-12-5-7-15(8-6-12)18-9-10-19-15/h12-14,16-17H,1-11H2/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)cyclohexan-1-ol has a molecular weight of 269.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)cyclohexan-1-ol is sourced from PubChem (CID 154755007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).