[(1S,2S)-1-(1-adamantyl)-1-hydroxypropan-2-yl]-methylazanium

C14H26NO+ — CID 7154824

IUPAC[(1S,2S)-1-(1-adamantyl)-1-hydroxypropan-2-yl]-methylazanium
SMILESC[NH2+][C@@H](C)[C@@H](O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25NO/c1-9(15-2)13(16)14-6-10-3-11(7-14)5-12(4-10)8-14/h9-13,15-16H,3-8H2,1-2H3/p+1/t9-,10?,11?,12?,13+,14?/m0/s1
InChIKeyQOJWHENDBLGQRS-OIYBMSTKSA-O
MW224.37 g/mol
LogP1.15
Rot. Bonds3

About [(1S,2S)-1-(1-adamantyl)-1-hydroxypropan-2-yl]-methylazanium

[(1S,2S)-1-(1-adamantyl)-1-hydroxypropan-2-yl]-methylazanium (PubChem CID 7154824) has the molecular formula C14H26NO+ and a molecular weight of 224.37 g/mol. Its IUPAC name is [(1S,2S)-1-(1-adamantyl)-1-hydroxypropan-2-yl]-methylazanium.

Molecular Properties

Compound Name[(1S,2S)-1-(1-adamantyl)-1-hydroxypropan-2-yl]-methylazanium
PubChem CID7154824
Molecular FormulaC14H26NO+
Molecular Weight224.37 g/mol
Exact Mass224.20
IUPAC Name[(1S,2S)-1-(1-adamantyl)-1-hydroxypropan-2-yl]-methylazanium
SMILESC[NH2+][C@@H](C)[C@@H](O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25NO/c1-9(15-2)13(16)14-6-10-3-11(7-14)5-12(4-10)8-14/h9-13,15-16H,3-8H2,1-2H3/p+1/t9-,10?,11?,12?,13+,14?/m0/s1
InChIKeyQOJWHENDBLGQRS-OIYBMSTKSA-O
XLogP1.15
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-(1-adamantyl)-1-hydroxypropan-2-yl]-methylazanium?
The IUPAC name of [(1S,2S)-1-(1-adamantyl)-1-hydroxypropan-2-yl]-methylazanium (CID 7154824) is [(1S,2S)-1-(1-adamantyl)-1-hydroxypropan-2-yl]-methylazanium.
What is the SMILES notation for [(1S,2S)-1-(1-adamantyl)-1-hydroxypropan-2-yl]-methylazanium?
The canonical SMILES for [(1S,2S)-1-(1-adamantyl)-1-hydroxypropan-2-yl]-methylazanium is C[NH2+][C@@H](C)[C@@H](O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [(1S,2S)-1-(1-adamantyl)-1-hydroxypropan-2-yl]-methylazanium?
The InChIKey is QOJWHENDBLGQRS-OIYBMSTKSA-O. The full InChI is InChI=1S/C14H25NO/c1-9(15-2)13(16)14-6-10-3-11(7-14)5-12(4-10)8-14/h9-13,15-16H,3-8H2,1-2H3/p+1/t9-,10?,11?,12?,13+,14?/m0/s1.
What are the key properties of [(1S,2S)-1-(1-adamantyl)-1-hydroxypropan-2-yl]-methylazanium?
[(1S,2S)-1-(1-adamantyl)-1-hydroxypropan-2-yl]-methylazanium has a molecular weight of 224.37 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-(1-adamantyl)-1-hydroxypropan-2-yl]-methylazanium is sourced from PubChem (CID 7154824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).