cis-(1R,3S)-3-(oxan-4-ylamino)cyclohexan-1-ol

C11H21NO2 — CID 93277667

IUPACcis-(1R,3S)-3-(oxan-4-ylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCC[C@H](NC2CCOCC2)C1
InChIInChI=1S/C11H21NO2/c13-11-3-1-2-10(8-11)12-9-4-6-14-7-5-9/h9-13H,1-8H2/t10-,11+/m0/s1
InChIKeyULTNNKVQKRGPAY-WDEREUQCSA-N
MW199.29 g/mol
LogP1.06
Rot. Bonds2

About cis-(1R,3S)-3-(oxan-4-ylamino)cyclohexan-1-ol

cis-(1R,3S)-3-(oxan-4-ylamino)cyclohexan-1-ol (PubChem CID 93277667) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is cis-(1R,3S)-3-(oxan-4-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-(oxan-4-ylamino)cyclohexan-1-ol
PubChem CID93277667
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namecis-(1R,3S)-3-(oxan-4-ylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCC[C@H](NC2CCOCC2)C1
InChIInChI=1S/C11H21NO2/c13-11-3-1-2-10(8-11)12-9-4-6-14-7-5-9/h9-13H,1-8H2/t10-,11+/m0/s1
InChIKeyULTNNKVQKRGPAY-WDEREUQCSA-N
XLogP1.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-3-(oxan-4-ylamino)cyclohexan-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 cis-(1R,3S)-3-(oxan-4-ylamino)cyclohexan-1-ol?
The IUPAC name of cis-(1R,3S)-3-(oxan-4-ylamino)cyclohexan-1-ol (CID 93277667) is cis-(1R,3S)-3-(oxan-4-ylamino)cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-(oxan-4-ylamino)cyclohexan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-(oxan-4-ylamino)cyclohexan-1-ol is O[C@@H]1CCC[C@H](NC2CCOCC2)C1.
What is the InChIKey of cis-(1R,3S)-3-(oxan-4-ylamino)cyclohexan-1-ol?
The InChIKey is ULTNNKVQKRGPAY-WDEREUQCSA-N. The full InChI is InChI=1S/C11H21NO2/c13-11-3-1-2-10(8-11)12-9-4-6-14-7-5-9/h9-13H,1-8H2/t10-,11+/m0/s1.
What are the key properties of cis-(1R,3S)-3-(oxan-4-ylamino)cyclohexan-1-ol?
cis-(1R,3S)-3-(oxan-4-ylamino)cyclohexan-1-ol has a molecular weight of 199.29 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(oxan-4-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 93277667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).