trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol

C14H28N2O2 — CID 92759264

IUPACtrans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1NCCN[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H28N2O2/c17-13-7-3-1-5-11(13)15-9-10-16-12-6-2-4-8-14(12)18/h11-18H,1-10H2/t11-,12+,13-,14-/m0/s1
InChIKeyZVJVIJLBSOROFT-CRWXNKLISA-N
MW256.39 g/mol
LogP0.77
Rot. Bonds5

About trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol

trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol (PubChem CID 92759264) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
PubChem CID92759264
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametrans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1NCCN[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H28N2O2/c17-13-7-3-1-5-11(13)15-9-10-16-12-6-2-4-8-14(12)18/h11-18H,1-10H2/t11-,12+,13-,14-/m0/s1
InChIKeyZVJVIJLBSOROFT-CRWXNKLISA-N
XLogP0.77
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol with MolForge

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Related Compounds

trans-(1R,2R)-2-(2-aminoethylamino)cyclopentan-1-ol
CID 55289731
2-(3,3-dimethylbutylamino)cyclohexan-1-ol
CID 62359482
trans-(1R,2R)-2-(but-3-ynylamino)cyclohexan-1-ol
CID 102731273
trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol
CID 102731748
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide
CID 93346245
2-[(2-hydroxycycloheptyl)amino]ethylurea
CID 83121315
trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660461
cis-(1R,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660465
trans-(1S,2S)-2-(2-cyclobutylethylamino)cyclopentan-1-ol
CID 102734088
trans-(1R,2R)-2-(2-cyclopropylethylamino)cyclopentan-1-ol
CID 102733634
2-(3-pyrrolidin-1-ylpropylamino)cycloheptan-1-ol
CID 55141909

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol (CID 92759264) is trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1NCCN[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol?
The InChIKey is ZVJVIJLBSOROFT-CRWXNKLISA-N. The full InChI is InChI=1S/C14H28N2O2/c17-13-7-3-1-5-11(13)15-9-10-16-12-6-2-4-8-14(12)18/h11-18H,1-10H2/t11-,12+,13-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol?
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 0.77, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 92759264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).