[(1S,2S)-2-anilinocyclohexyl] N,N-dimethylcarbamate;hydrochloride

C15H23ClN2O2 — CID 73212566

IUPAC[(1S,2S)-2-anilinocyclohexyl] N,N-dimethylcarbamate;hydrochloride
SMILESCN(C)C(=O)O[C@H]1CCCC[C@@H]1Nc1ccccc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-17(2)15(18)19-14-11-7-6-10-13(14)16-12-8-4-3-5-9-12;/h3-5,8-9,13-14,16H,6-7,10-11H2,1-2H3;1H/t13-,14-;/m0./s1
InChIKeyLKDUCBYZTXSASC-IODNYQNNSA-N
MW298.81 g/mol
LogP3.53
Rot. Bonds3

About [(1S,2S)-2-anilinocyclohexyl] N,N-dimethylcarbamate;hydrochloride

[(1S,2S)-2-anilinocyclohexyl] N,N-dimethylcarbamate;hydrochloride (PubChem CID 73212566) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is [(1S,2S)-2-anilinocyclohexyl] N,N-dimethylcarbamate;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-anilinocyclohexyl] N,N-dimethylcarbamate;hydrochloride
PubChem CID73212566
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name[(1S,2S)-2-anilinocyclohexyl] N,N-dimethylcarbamate;hydrochloride
SMILESCN(C)C(=O)O[C@H]1CCCC[C@@H]1Nc1ccccc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-17(2)15(18)19-14-11-7-6-10-13(14)16-12-8-4-3-5-9-12;/h3-5,8-9,13-14,16H,6-7,10-11H2,1-2H3;1H/t13-,14-;/m0./s1
InChIKeyLKDUCBYZTXSASC-IODNYQNNSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-anilinocyclohexyl] N,N-dimethylcarbamate;hydrochloride?
The IUPAC name of [(1S,2S)-2-anilinocyclohexyl] N,N-dimethylcarbamate;hydrochloride (CID 73212566) is [(1S,2S)-2-anilinocyclohexyl] N,N-dimethylcarbamate;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-anilinocyclohexyl] N,N-dimethylcarbamate;hydrochloride?
The canonical SMILES for [(1S,2S)-2-anilinocyclohexyl] N,N-dimethylcarbamate;hydrochloride is CN(C)C(=O)O[C@H]1CCCC[C@@H]1Nc1ccccc1.Cl.
What is the InChIKey of [(1S,2S)-2-anilinocyclohexyl] N,N-dimethylcarbamate;hydrochloride?
The InChIKey is LKDUCBYZTXSASC-IODNYQNNSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-17(2)15(18)19-14-11-7-6-10-13(14)16-12-8-4-3-5-9-12;/h3-5,8-9,13-14,16H,6-7,10-11H2,1-2H3;1H/t13-,14-;/m0./s1.
What are the key properties of [(1S,2S)-2-anilinocyclohexyl] N,N-dimethylcarbamate;hydrochloride?
[(1S,2S)-2-anilinocyclohexyl] N,N-dimethylcarbamate;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-anilinocyclohexyl] N,N-dimethylcarbamate;hydrochloride is sourced from PubChem (CID 73212566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).