trans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol

C12H21N3O — CID 119039399

IUPACtrans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol
SMILESCC(N[C@@H]1CCCC[C@H]1O)c1nccn1C
InChIInChI=1S/C12H21N3O/c1-9(12-13-7-8-15(12)2)14-10-5-3-4-6-11(10)16/h7-11,14,16H,3-6H2,1-2H3/t9?,10-,11-/m1/s1
InChIKeyPAWZCWNEJSQCNP-FHZGLPGMSA-N
MW223.32 g/mol
LogP1.37
Rot. Bonds3

About trans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol

trans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol (PubChem CID 119039399) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol
PubChem CID119039399
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Nametrans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol
SMILESCC(N[C@@H]1CCCC[C@H]1O)c1nccn1C
InChIInChI=1S/C12H21N3O/c1-9(12-13-7-8-15(12)2)14-10-5-3-4-6-11(10)16/h7-11,14,16H,3-6H2,1-2H3/t9?,10-,11-/m1/s1
InChIKeyPAWZCWNEJSQCNP-FHZGLPGMSA-N
XLogP1.37
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol (CID 119039399) is trans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol is CC(N[C@@H]1CCCC[C@H]1O)c1nccn1C.
What is the InChIKey of trans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol?
The InChIKey is PAWZCWNEJSQCNP-FHZGLPGMSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(12-13-7-8-15(12)2)14-10-5-3-4-6-11(10)16/h7-11,14,16H,3-6H2,1-2H3/t9?,10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol?
trans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 119039399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).