1-(1-adamantyloxy)-3-(2-hydroxyethylamino)propan-2-ol

C15H27NO3 — CID 23009134

IUPAC1-(1-adamantyloxy)-3-(2-hydroxyethylamino)propan-2-ol
SMILESOCCNCC(O)COC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27NO3/c17-2-1-16-9-14(18)10-19-15-6-11-3-12(7-15)5-13(4-11)8-15/h11-14,16-18H,1-10H2
InChIKeyYYBMWTUBNSIXNS-UHFFFAOYSA-N
MW269.38 g/mol
LogP0.91
Rot. Bonds7

About 1-(1-adamantyloxy)-3-(2-hydroxyethylamino)propan-2-ol

1-(1-adamantyloxy)-3-(2-hydroxyethylamino)propan-2-ol (PubChem CID 23009134) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-(1-adamantyloxy)-3-(2-hydroxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1-adamantyloxy)-3-(2-hydroxyethylamino)propan-2-ol
PubChem CID23009134
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-(1-adamantyloxy)-3-(2-hydroxyethylamino)propan-2-ol
SMILESOCCNCC(O)COC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27NO3/c17-2-1-16-9-14(18)10-19-15-6-11-3-12(7-15)5-13(4-11)8-15/h11-14,16-18H,1-10H2
InChIKeyYYBMWTUBNSIXNS-UHFFFAOYSA-N
XLogP0.91
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-adamantyloxy)-3-chloropropan-2-ol
CID 14612632
(2S)-1-(1-adamantyloxy)-3-(cyclohexylamino)propan-2-ol
CID 41493516
1-(1-adamantyloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 72711820
(2R)-1-(1-adamantyloxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 95738703
1-(1-adamantyloxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960395
(2R)-1-(1-adamantyloxy)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 42584459
(2S)-1-(1-adamantyloxy)-3-[benzyl(2-hydroxyethyl)amino]propan-2-ol
CID 41493437
(2S)-1-(4-chloro-3-methylcyclohexyl)oxy-3-(2-hydroxyethylamino)propan-2-ol
CID 140917588
1-(1-adamantyloxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride
CID 138961145
1-but-2-enoxy-3-(2-hydroxyethylamino)propan-2-ol
CID 173393097
1-[[3,5-bis(2-hydroxy-3-methoxypropoxy)-1-adamantyl]oxy]-3-methoxypropan-2-ol
CID 140594533
4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol
CID 11481559

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyloxy)-3-(2-hydroxyethylamino)propan-2-ol?
The IUPAC name of 1-(1-adamantyloxy)-3-(2-hydroxyethylamino)propan-2-ol (CID 23009134) is 1-(1-adamantyloxy)-3-(2-hydroxyethylamino)propan-2-ol.
What is the SMILES notation for 1-(1-adamantyloxy)-3-(2-hydroxyethylamino)propan-2-ol?
The canonical SMILES for 1-(1-adamantyloxy)-3-(2-hydroxyethylamino)propan-2-ol is OCCNCC(O)COC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyloxy)-3-(2-hydroxyethylamino)propan-2-ol?
The InChIKey is YYBMWTUBNSIXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c17-2-1-16-9-14(18)10-19-15-6-11-3-12(7-15)5-13(4-11)8-15/h11-14,16-18H,1-10H2.
What are the key properties of 1-(1-adamantyloxy)-3-(2-hydroxyethylamino)propan-2-ol?
1-(1-adamantyloxy)-3-(2-hydroxyethylamino)propan-2-ol has a molecular weight of 269.38 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyloxy)-3-(2-hydroxyethylamino)propan-2-ol is sourced from PubChem (CID 23009134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).