trans-(1S,2S)-2-[(4-ethylmorpholin-2-yl)methylamino]cyclohexan-1-ol

C13H26N2O2 — CID 102731765

IUPACtrans-(1S,2S)-2-[(4-ethylmorpholin-2-yl)methylamino]cyclohexan-1-ol
SMILESCCN1CCOC(CN[C@H]2CCCC[C@@H]2O)C1
InChIInChI=1S/C13H26N2O2/c1-2-15-7-8-17-11(10-15)9-14-12-5-3-4-6-13(12)16/h11-14,16H,2-10H2,1H3/t11?,12-,13-/m0/s1
InChIKeyWEVYMMMMFLSGGI-SPOOISQMSA-N
MW242.36 g/mol
LogP0.60
Rot. Bonds4

About trans-(1S,2S)-2-[(4-ethylmorpholin-2-yl)methylamino]cyclohexan-1-ol

trans-(1S,2S)-2-[(4-ethylmorpholin-2-yl)methylamino]cyclohexan-1-ol (PubChem CID 102731765) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(4-ethylmorpholin-2-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(4-ethylmorpholin-2-yl)methylamino]cyclohexan-1-ol
PubChem CID102731765
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametrans-(1S,2S)-2-[(4-ethylmorpholin-2-yl)methylamino]cyclohexan-1-ol
SMILESCCN1CCOC(CN[C@H]2CCCC[C@@H]2O)C1
InChIInChI=1S/C13H26N2O2/c1-2-15-7-8-17-11(10-15)9-14-12-5-3-4-6-13(12)16/h11-14,16H,2-10H2,1H3/t11?,12-,13-/m0/s1
InChIKeyWEVYMMMMFLSGGI-SPOOISQMSA-N
XLogP0.60
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(4-ethylmorpholin-2-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(4-ethylmorpholin-2-yl)methylamino]cyclohexan-1-ol (CID 102731765) is trans-(1S,2S)-2-[(4-ethylmorpholin-2-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(4-ethylmorpholin-2-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(4-ethylmorpholin-2-yl)methylamino]cyclohexan-1-ol is CCN1CCOC(CN[C@H]2CCCC[C@@H]2O)C1.
What is the InChIKey of trans-(1S,2S)-2-[(4-ethylmorpholin-2-yl)methylamino]cyclohexan-1-ol?
The InChIKey is WEVYMMMMFLSGGI-SPOOISQMSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-15-7-8-17-11(10-15)9-14-12-5-3-4-6-13(12)16/h11-14,16H,2-10H2,1H3/t11?,12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(4-ethylmorpholin-2-yl)methylamino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(4-ethylmorpholin-2-yl)methylamino]cyclohexan-1-ol has a molecular weight of 242.36 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(4-ethylmorpholin-2-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102731765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).