trans-(1R,2R)-2-(dibenzylamino)cyclohexan-1-ol

C20H25NO — CID 10968443

IUPACtrans-(1R,2R)-2-(dibenzylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO/c22-20-14-8-7-13-19(20)21(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-6,9-12,19-20,22H,7-8,13-16H2/t19-,20-/m1/s1
InChIKeySWGFZAHBSUFRIF-WOJBJXKFSA-N
MW295.43 g/mol
LogP3.99
Rot. Bonds5

About trans-(1R,2R)-2-(dibenzylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(dibenzylamino)cyclohexan-1-ol (PubChem CID 10968443) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is trans-(1R,2R)-2-(dibenzylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(dibenzylamino)cyclohexan-1-ol
PubChem CID10968443
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Nametrans-(1R,2R)-2-(dibenzylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO/c22-20-14-8-7-13-19(20)21(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-6,9-12,19-20,22H,7-8,13-16H2/t19-,20-/m1/s1
InChIKeySWGFZAHBSUFRIF-WOJBJXKFSA-N
XLogP3.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(dibenzylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(dibenzylamino)cyclohexan-1-ol (CID 10968443) is trans-(1R,2R)-2-(dibenzylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(dibenzylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(dibenzylamino)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-(dibenzylamino)cyclohexan-1-ol?
The InChIKey is SWGFZAHBSUFRIF-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H25NO/c22-20-14-8-7-13-19(20)21(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-6,9-12,19-20,22H,7-8,13-16H2/t19-,20-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(dibenzylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(dibenzylamino)cyclohexan-1-ol has a molecular weight of 295.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(dibenzylamino)cyclohexan-1-ol is sourced from PubChem (CID 10968443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).