trans-(1S,2S)-2-[2-hydroxyethyl(propyl)amino]cyclohexan-1-ol

C11H23NO2 — CID 102731968

IUPACtrans-(1S,2S)-2-[2-hydroxyethyl(propyl)amino]cyclohexan-1-ol
SMILESCCCN(CCO)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C11H23NO2/c1-2-7-12(8-9-13)10-5-3-4-6-11(10)14/h10-11,13-14H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyZAGVVCGZGQLJRX-QWRGUYRKSA-N
MW201.31 g/mol
LogP0.99
Rot. Bonds5

About trans-(1S,2S)-2-[2-hydroxyethyl(propyl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[2-hydroxyethyl(propyl)amino]cyclohexan-1-ol (PubChem CID 102731968) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is trans-(1S,2S)-2-[2-hydroxyethyl(propyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[2-hydroxyethyl(propyl)amino]cyclohexan-1-ol
PubChem CID102731968
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nametrans-(1S,2S)-2-[2-hydroxyethyl(propyl)amino]cyclohexan-1-ol
SMILESCCCN(CCO)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C11H23NO2/c1-2-7-12(8-9-13)10-5-3-4-6-11(10)14/h10-11,13-14H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyZAGVVCGZGQLJRX-QWRGUYRKSA-N
XLogP0.99
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-2-[2-hydroxyethyl(propyl)amino]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 trans-(1S,2S)-2-[2-hydroxyethyl(propyl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[2-hydroxyethyl(propyl)amino]cyclohexan-1-ol (CID 102731968) is trans-(1S,2S)-2-[2-hydroxyethyl(propyl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[2-hydroxyethyl(propyl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[2-hydroxyethyl(propyl)amino]cyclohexan-1-ol is CCCN(CCO)[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[2-hydroxyethyl(propyl)amino]cyclohexan-1-ol?
The InChIKey is ZAGVVCGZGQLJRX-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H23NO2/c1-2-7-12(8-9-13)10-5-3-4-6-11(10)14/h10-11,13-14H,2-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[2-hydroxyethyl(propyl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[2-hydroxyethyl(propyl)amino]cyclohexan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[2-hydroxyethyl(propyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 102731968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).