(2S)-2-cyclohexyl-2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]propan-1-ol

C14H27NO3 — CID 99815019

IUPAC(2S)-2-cyclohexyl-2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]propan-1-ol
SMILESC[C@](CO)(NCC1(CO)COC1)C1CCCCC1
InChIInChI=1S/C14H27NO3/c1-13(8-16,12-5-3-2-4-6-12)15-7-14(9-17)10-18-11-14/h12,15-17H,2-11H2,1H3/t13-/m1/s1
InChIKeyIYBHCSBYQSDPDY-CYBMUJFWSA-N
MW257.37 g/mol
LogP0.92
Rot. Bonds6

About (2S)-2-cyclohexyl-2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]propan-1-ol

(2S)-2-cyclohexyl-2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]propan-1-ol (PubChem CID 99815019) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]propan-1-ol
PubChem CID99815019
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(2S)-2-cyclohexyl-2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]propan-1-ol
SMILESC[C@](CO)(NCC1(CO)COC1)C1CCCCC1
InChIInChI=1S/C14H27NO3/c1-13(8-16,12-5-3-2-4-6-12)15-7-14(9-17)10-18-11-14/h12,15-17H,2-11H2,1H3/t13-/m1/s1
InChIKeyIYBHCSBYQSDPDY-CYBMUJFWSA-N
XLogP0.92
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-cyclohexyl-2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]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 (2S)-2-cyclohexyl-2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]propan-1-ol?
The IUPAC name of (2S)-2-cyclohexyl-2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]propan-1-ol (CID 99815019) is (2S)-2-cyclohexyl-2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-cyclohexyl-2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]propan-1-ol?
The canonical SMILES for (2S)-2-cyclohexyl-2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]propan-1-ol is C[C@](CO)(NCC1(CO)COC1)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]propan-1-ol?
The InChIKey is IYBHCSBYQSDPDY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H27NO3/c1-13(8-16,12-5-3-2-4-6-12)15-7-14(9-17)10-18-11-14/h12,15-17H,2-11H2,1H3/t13-/m1/s1.
What are the key properties of (2S)-2-cyclohexyl-2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]propan-1-ol?
(2S)-2-cyclohexyl-2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]propan-1-ol has a molecular weight of 257.37 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]propan-1-ol is sourced from PubChem (CID 99815019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).