1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol

C18H35NO2 — CID 81388573

IUPAC1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCCCC1OCC(O)CN[C@@H](C)C1CCCCC1
InChIInChI=1S/C18H35NO2/c1-14-8-6-7-11-18(14)21-13-17(20)12-19-15(2)16-9-4-3-5-10-16/h14-20H,3-13H2,1-2H3/t14?,15-,17?,18?/m0/s1
InChIKeyRUAKAXKAJKQUBE-TZZHXKSVSA-N
MW297.48 g/mol
LogP3.50
Rot. Bonds7

About 1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol

1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol (PubChem CID 81388573) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol
PubChem CID81388573
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCCCC1OCC(O)CN[C@@H](C)C1CCCCC1
InChIInChI=1S/C18H35NO2/c1-14-8-6-7-11-18(14)21-13-17(20)12-19-15(2)16-9-4-3-5-10-16/h14-20H,3-13H2,1-2H3/t14?,15-,17?,18?/m0/s1
InChIKeyRUAKAXKAJKQUBE-TZZHXKSVSA-N
XLogP3.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclohexylethylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62406813
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
1-(2-methylcyclohexyl)oxy-3-(2-methylpropylamino)propan-2-ol
CID 60635615
1-[[(1R)-1-cyclohexylethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81385135
1-(2-hydroxypropylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60634518
1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol
CID 113477406
1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 81394530
1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 63867829
1-(2,2-dimethylhydrazinyl)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 83013847
4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol
CID 64910999
1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 81396507
1-(1-cyclohexylethylamino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55069456

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol (CID 81388573) is 1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol is CC1CCCCC1OCC(O)CN[C@@H](C)C1CCCCC1.
What is the InChIKey of 1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is RUAKAXKAJKQUBE-TZZHXKSVSA-N. The full InChI is InChI=1S/C18H35NO2/c1-14-8-6-7-11-18(14)21-13-17(20)12-19-15(2)16-9-4-3-5-10-16/h14-20H,3-13H2,1-2H3/t14?,15-,17?,18?/m0/s1.
What are the key properties of 1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol?
1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 297.48 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 81388573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).