(2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C13H27NO2 — CID 8741576

IUPAC(2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OC[C@@H](O)CNC1CCCCC1
InChIInChI=1S/C13H27NO2/c1-13(2,3)16-10-12(15)9-14-11-7-5-4-6-8-11/h11-12,14-15H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyGCKSLZXHJMZOTL-LBPRGKRZSA-N
MW229.36 g/mol
LogP2.08
Rot. Bonds5

About (2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

(2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 8741576) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is (2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID8741576
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name(2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OC[C@@H](O)CNC1CCCCC1
InChIInChI=1S/C13H27NO2/c1-13(2,3)16-10-12(15)9-14-11-7-5-4-6-8-11/h11-12,14-15H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyGCKSLZXHJMZOTL-LBPRGKRZSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol
CID 60633332
1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60633651
1-(cycloheptylamino)-3-ethoxypropan-2-ol
CID 63933573
1-(cyclooctylamino)-4,4-dimethylpentan-2-ol
CID 103784422
1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60635542
1-(2-cyclohexylethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54932851
(2R)-1-cyclohexyloxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 90381402
1-(cyclobutylamino)-3-cyclohexyloxypropan-2-ol
CID 62414367
1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride
CID 44782577
1-[(2-methyloxan-4-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 114107829
3-(cyclododecylamino)propane-1,2-diol
CID 66175077
1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol
CID 60633253

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of (2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 8741576) is (2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for (2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for (2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(C)(C)OC[C@@H](O)CNC1CCCCC1.
What is the InChIKey of (2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is GCKSLZXHJMZOTL-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H27NO2/c1-13(2,3)16-10-12(15)9-14-11-7-5-4-6-8-11/h11-12,14-15H,4-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
(2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 8741576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).