(2S)-1-(dimethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol

C12H25NO2 — CID 140917507

IUPAC(2S)-1-(dimethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCC(OC[C@@H](O)CN(C)C)CC1
InChIInChI=1S/C12H25NO2/c1-10-4-6-12(7-5-10)15-9-11(14)8-13(2)3/h10-12,14H,4-9H2,1-3H3/t10?,11-,12?/m0/s1
InChIKeyLAJGHSJJTRNYAT-CXQJBGSLSA-N
MW215.34 g/mol
LogP1.50
Rot. Bonds5

About (2S)-1-(dimethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol

(2S)-1-(dimethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol (PubChem CID 140917507) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (2S)-1-(dimethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(dimethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
PubChem CID140917507
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(2S)-1-(dimethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCC(OC[C@@H](O)CN(C)C)CC1
InChIInChI=1S/C12H25NO2/c1-10-4-6-12(7-5-10)15-9-11(14)8-13(2)3/h10-12,14H,4-9H2,1-3H3/t10?,11-,12?/m0/s1
InChIKeyLAJGHSJJTRNYAT-CXQJBGSLSA-N
XLogP1.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(dimethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of (2S)-1-(dimethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol (CID 140917507) is (2S)-1-(dimethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for (2S)-1-(dimethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for (2S)-1-(dimethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol is CC1CCC(OC[C@@H](O)CN(C)C)CC1.
What is the InChIKey of (2S)-1-(dimethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is LAJGHSJJTRNYAT-CXQJBGSLSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10-4-6-12(7-5-10)15-9-11(14)8-13(2)3/h10-12,14H,4-9H2,1-3H3/t10?,11-,12?/m0/s1.
What are the key properties of (2S)-1-(dimethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
(2S)-1-(dimethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(dimethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 140917507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).