trans-(1S,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclohexan-1-ol

C15H21NO — CID 94414341

IUPACtrans-(1S,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1NC1Cc2ccccc2C1
InChIInChI=1S/C15H21NO/c17-15-8-4-3-7-14(15)16-13-9-11-5-1-2-6-12(11)10-13/h1-2,5-6,13-17H,3-4,7-10H2/t14-,15-/m0/s1
InChIKeyJCGSQQHJICCUPA-GJZGRUSLSA-N
MW231.34 g/mol
LogP2.05
Rot. Bonds2

About trans-(1S,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclohexan-1-ol

trans-(1S,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclohexan-1-ol (PubChem CID 94414341) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclohexan-1-ol
PubChem CID94414341
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Nametrans-(1S,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1NC1Cc2ccccc2C1
InChIInChI=1S/C15H21NO/c17-15-8-4-3-7-14(15)16-13-9-11-5-1-2-6-12(11)10-13/h1-2,5-6,13-17H,3-4,7-10H2/t14-,15-/m0/s1
InChIKeyJCGSQQHJICCUPA-GJZGRUSLSA-N
XLogP2.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclohexan-1-ol (CID 94414341) is trans-(1S,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1NC1Cc2ccccc2C1.
What is the InChIKey of trans-(1S,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclohexan-1-ol?
The InChIKey is JCGSQQHJICCUPA-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H21NO/c17-15-8-4-3-7-14(15)16-13-9-11-5-1-2-6-12(11)10-13/h1-2,5-6,13-17H,3-4,7-10H2/t14-,15-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclohexan-1-ol?
trans-(1S,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclohexan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 94414341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).