(2S)-2-[[(2R,6S)-2,6-dimethylcyclohexyl]amino]propan-1-ol

C11H23NO — CID 93082955

IUPAC(2S)-2-[[(2R,6S)-2,6-dimethylcyclohexyl]amino]propan-1-ol
SMILESC[C@@H]1CCC[C@H](C)C1N[C@@H](C)CO
InChIInChI=1S/C11H23NO/c1-8-5-4-6-9(2)11(8)12-10(3)7-13/h8-13H,4-7H2,1-3H3/t8-,9+,10-,11?/m0/s1
InChIKeyVFJNRBAQAJDJJI-JDUUOCRZSA-N
MW185.31 g/mol
LogP1.78
Rot. Bonds3

About (2S)-2-[[(2R,6S)-2,6-dimethylcyclohexyl]amino]propan-1-ol

(2S)-2-[[(2R,6S)-2,6-dimethylcyclohexyl]amino]propan-1-ol (PubChem CID 93082955) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2S)-2-[[(2R,6S)-2,6-dimethylcyclohexyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[(2R,6S)-2,6-dimethylcyclohexyl]amino]propan-1-ol
PubChem CID93082955
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2S)-2-[[(2R,6S)-2,6-dimethylcyclohexyl]amino]propan-1-ol
SMILESC[C@@H]1CCC[C@H](C)C1N[C@@H](C)CO
InChIInChI=1S/C11H23NO/c1-8-5-4-6-9(2)11(8)12-10(3)7-13/h8-13H,4-7H2,1-3H3/t8-,9+,10-,11?/m0/s1
InChIKeyVFJNRBAQAJDJJI-JDUUOCRZSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R,6S)-2,6-dimethylcyclohexyl]amino]propan-1-ol?
The IUPAC name of (2S)-2-[[(2R,6S)-2,6-dimethylcyclohexyl]amino]propan-1-ol (CID 93082955) is (2S)-2-[[(2R,6S)-2,6-dimethylcyclohexyl]amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[[(2R,6S)-2,6-dimethylcyclohexyl]amino]propan-1-ol?
The canonical SMILES for (2S)-2-[[(2R,6S)-2,6-dimethylcyclohexyl]amino]propan-1-ol is C[C@@H]1CCC[C@H](C)C1N[C@@H](C)CO.
What is the InChIKey of (2S)-2-[[(2R,6S)-2,6-dimethylcyclohexyl]amino]propan-1-ol?
The InChIKey is VFJNRBAQAJDJJI-JDUUOCRZSA-N. The full InChI is InChI=1S/C11H23NO/c1-8-5-4-6-9(2)11(8)12-10(3)7-13/h8-13H,4-7H2,1-3H3/t8-,9+,10-,11?/m0/s1.
What are the key properties of (2S)-2-[[(2R,6S)-2,6-dimethylcyclohexyl]amino]propan-1-ol?
(2S)-2-[[(2R,6S)-2,6-dimethylcyclohexyl]amino]propan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R,6S)-2,6-dimethylcyclohexyl]amino]propan-1-ol is sourced from PubChem (CID 93082955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).