(1R,2S)-2-amino-3-cyclohexyl-1-[(2S)-oxolan-2-yl]propan-1-ol

C13H25NO2 — CID 10889643

IUPAC(1R,2S)-2-amino-3-cyclohexyl-1-[(2S)-oxolan-2-yl]propan-1-ol
SMILESN[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CCCO1
InChIInChI=1S/C13H25NO2/c14-11(9-10-5-2-1-3-6-10)13(15)12-7-4-8-16-12/h10-13,15H,1-9,14H2/t11-,12-,13+/m0/s1
InChIKeyIXRFIRAJYPTXJY-RWMBFGLXSA-N
MW227.35 g/mol
LogP1.82
Rot. Bonds4

About (1R,2S)-2-amino-3-cyclohexyl-1-[(2S)-oxolan-2-yl]propan-1-ol

(1R,2S)-2-amino-3-cyclohexyl-1-[(2S)-oxolan-2-yl]propan-1-ol (PubChem CID 10889643) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (1R,2S)-2-amino-3-cyclohexyl-1-[(2S)-oxolan-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-amino-3-cyclohexyl-1-[(2S)-oxolan-2-yl]propan-1-ol
PubChem CID10889643
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(1R,2S)-2-amino-3-cyclohexyl-1-[(2S)-oxolan-2-yl]propan-1-ol
SMILESN[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CCCO1
InChIInChI=1S/C13H25NO2/c14-11(9-10-5-2-1-3-6-10)13(15)12-7-4-8-16-12/h10-13,15H,1-9,14H2/t11-,12-,13+/m0/s1
InChIKeyIXRFIRAJYPTXJY-RWMBFGLXSA-N
XLogP1.82
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-3-cyclohexyl-1-[(2S)-oxolan-2-yl]propan-1-ol?
The IUPAC name of (1R,2S)-2-amino-3-cyclohexyl-1-[(2S)-oxolan-2-yl]propan-1-ol (CID 10889643) is (1R,2S)-2-amino-3-cyclohexyl-1-[(2S)-oxolan-2-yl]propan-1-ol.
What is the SMILES notation for (1R,2S)-2-amino-3-cyclohexyl-1-[(2S)-oxolan-2-yl]propan-1-ol?
The canonical SMILES for (1R,2S)-2-amino-3-cyclohexyl-1-[(2S)-oxolan-2-yl]propan-1-ol is N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CCCO1.
What is the InChIKey of (1R,2S)-2-amino-3-cyclohexyl-1-[(2S)-oxolan-2-yl]propan-1-ol?
The InChIKey is IXRFIRAJYPTXJY-RWMBFGLXSA-N. The full InChI is InChI=1S/C13H25NO2/c14-11(9-10-5-2-1-3-6-10)13(15)12-7-4-8-16-12/h10-13,15H,1-9,14H2/t11-,12-,13+/m0/s1.
What are the key properties of (1R,2S)-2-amino-3-cyclohexyl-1-[(2S)-oxolan-2-yl]propan-1-ol?
(1R,2S)-2-amino-3-cyclohexyl-1-[(2S)-oxolan-2-yl]propan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-3-cyclohexyl-1-[(2S)-oxolan-2-yl]propan-1-ol is sourced from PubChem (CID 10889643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).