(2S)-1-(1-adamantyloxy)-3-(cyclohexylamino)propan-2-ol

C19H33NO2 — CID 41493516

IUPAC(2S)-1-(1-adamantyloxy)-3-(cyclohexylamino)propan-2-ol
SMILESO[C@@H](CNC1CCCCC1)COC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33NO2/c21-18(12-20-17-4-2-1-3-5-17)13-22-19-9-14-6-15(10-19)8-16(7-14)11-19/h14-18,20-21H,1-13H2/t14?,15?,16?,18-,19?/m0/s1
InChIKeyFGPNQVKYXMIMPC-ZJIILYSQSA-N
MW307.48 g/mol
LogP3.26
Rot. Bonds6

About (2S)-1-(1-adamantyloxy)-3-(cyclohexylamino)propan-2-ol

(2S)-1-(1-adamantyloxy)-3-(cyclohexylamino)propan-2-ol (PubChem CID 41493516) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is (2S)-1-(1-adamantyloxy)-3-(cyclohexylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(1-adamantyloxy)-3-(cyclohexylamino)propan-2-ol
PubChem CID41493516
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name(2S)-1-(1-adamantyloxy)-3-(cyclohexylamino)propan-2-ol
SMILESO[C@@H](CNC1CCCCC1)COC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33NO2/c21-18(12-20-17-4-2-1-3-5-17)13-22-19-9-14-6-15(10-19)8-16(7-14)11-19/h14-18,20-21H,1-13H2/t14?,15?,16?,18-,19?/m0/s1
InChIKeyFGPNQVKYXMIMPC-ZJIILYSQSA-N
XLogP3.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-adamantyloxy)-3-(2-hydroxyethylamino)propan-2-ol
CID 23009134
1-(cycloheptylamino)-3-ethoxypropan-2-ol
CID 63933573
1-(cyclobutylamino)-3-cyclohexyloxypropan-2-ol
CID 62414367
1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride
CID 44782577
1-(1-adamantyloxy)-3-chloropropan-2-ol
CID 14612632
1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol
CID 60633332
(2R)-1-(1-adamantyloxy)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 42584459
(2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 8741576
1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60635542
3-(cyclododecylamino)propane-1,2-diol
CID 66175077
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-chloro-3-(cyclooctylamino)propan-2-ol
CID 10443428

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-adamantyloxy)-3-(cyclohexylamino)propan-2-ol?
The IUPAC name of (2S)-1-(1-adamantyloxy)-3-(cyclohexylamino)propan-2-ol (CID 41493516) is (2S)-1-(1-adamantyloxy)-3-(cyclohexylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(1-adamantyloxy)-3-(cyclohexylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(1-adamantyloxy)-3-(cyclohexylamino)propan-2-ol is O[C@@H](CNC1CCCCC1)COC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2S)-1-(1-adamantyloxy)-3-(cyclohexylamino)propan-2-ol?
The InChIKey is FGPNQVKYXMIMPC-ZJIILYSQSA-N. The full InChI is InChI=1S/C19H33NO2/c21-18(12-20-17-4-2-1-3-5-17)13-22-19-9-14-6-15(10-19)8-16(7-14)11-19/h14-18,20-21H,1-13H2/t14?,15?,16?,18-,19?/m0/s1.
What are the key properties of (2S)-1-(1-adamantyloxy)-3-(cyclohexylamino)propan-2-ol?
(2S)-1-(1-adamantyloxy)-3-(cyclohexylamino)propan-2-ol has a molecular weight of 307.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-adamantyloxy)-3-(cyclohexylamino)propan-2-ol is sourced from PubChem (CID 41493516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).