(1R)-2-amino-3-cyclohexyl-1-[(2S,5R)-5-methyloxolan-2-yl]propan-1-ol

C14H27NO2 — CID 54398893

IUPAC(1R)-2-amino-3-cyclohexyl-1-[(2S,5R)-5-methyloxolan-2-yl]propan-1-ol
SMILESC[C@@H]1CC[C@@H]([C@H](O)C(N)CC2CCCCC2)O1
InChIInChI=1S/C14H27NO2/c1-10-7-8-13(17-10)14(16)12(15)9-11-5-3-2-4-6-11/h10-14,16H,2-9,15H2,1H3/t10-,12?,13+,14-/m1/s1
InChIKeyVLZPGFUOSQUWIQ-KVYFJXEBSA-N
MW241.37 g/mol
LogP2.21
Rot. Bonds4

About (1R)-2-amino-3-cyclohexyl-1-[(2S,5R)-5-methyloxolan-2-yl]propan-1-ol

(1R)-2-amino-3-cyclohexyl-1-[(2S,5R)-5-methyloxolan-2-yl]propan-1-ol (PubChem CID 54398893) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (1R)-2-amino-3-cyclohexyl-1-[(2S,5R)-5-methyloxolan-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1R)-2-amino-3-cyclohexyl-1-[(2S,5R)-5-methyloxolan-2-yl]propan-1-ol
PubChem CID54398893
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(1R)-2-amino-3-cyclohexyl-1-[(2S,5R)-5-methyloxolan-2-yl]propan-1-ol
SMILESC[C@@H]1CC[C@@H]([C@H](O)C(N)CC2CCCCC2)O1
InChIInChI=1S/C14H27NO2/c1-10-7-8-13(17-10)14(16)12(15)9-11-5-3-2-4-6-11/h10-14,16H,2-9,15H2,1H3/t10-,12?,13+,14-/m1/s1
InChIKeyVLZPGFUOSQUWIQ-KVYFJXEBSA-N
XLogP2.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-2-amino-3-cyclohexyl-1-[(2S,5R)-5-methyloxolan-2-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-3-cyclohexyl-1-[(2S,5R)-5-methyloxolan-2-yl]propan-1-ol?
The IUPAC name of (1R)-2-amino-3-cyclohexyl-1-[(2S,5R)-5-methyloxolan-2-yl]propan-1-ol (CID 54398893) is (1R)-2-amino-3-cyclohexyl-1-[(2S,5R)-5-methyloxolan-2-yl]propan-1-ol.
What is the SMILES notation for (1R)-2-amino-3-cyclohexyl-1-[(2S,5R)-5-methyloxolan-2-yl]propan-1-ol?
The canonical SMILES for (1R)-2-amino-3-cyclohexyl-1-[(2S,5R)-5-methyloxolan-2-yl]propan-1-ol is C[C@@H]1CC[C@@H]([C@H](O)C(N)CC2CCCCC2)O1.
What is the InChIKey of (1R)-2-amino-3-cyclohexyl-1-[(2S,5R)-5-methyloxolan-2-yl]propan-1-ol?
The InChIKey is VLZPGFUOSQUWIQ-KVYFJXEBSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10-7-8-13(17-10)14(16)12(15)9-11-5-3-2-4-6-11/h10-14,16H,2-9,15H2,1H3/t10-,12?,13+,14-/m1/s1.
What are the key properties of (1R)-2-amino-3-cyclohexyl-1-[(2S,5R)-5-methyloxolan-2-yl]propan-1-ol?
(1R)-2-amino-3-cyclohexyl-1-[(2S,5R)-5-methyloxolan-2-yl]propan-1-ol has a molecular weight of 241.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-3-cyclohexyl-1-[(2S,5R)-5-methyloxolan-2-yl]propan-1-ol is sourced from PubChem (CID 54398893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).