2-amino-1-(2-azabicyclo[3.1.0]hexan-2-yl)-2-(3-hydroxy-1-adamantyl)ethanone

C17H26N2O2 — CID 22250559

IUPAC2-amino-1-(2-azabicyclo[3.1.0]hexan-2-yl)-2-(3-hydroxy-1-adamantyl)ethanone
SMILESNC(C(=O)N1CCC2CC21)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C17H26N2O2/c18-14(15(20)19-2-1-12-4-13(12)19)16-5-10-3-11(6-16)8-17(21,7-10)9-16/h10-14,21H,1-9,18H2
InChIKeyIUSIQPDIGXHBJQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.27
Rot. Bonds2

About 2-amino-1-(2-azabicyclo[3.1.0]hexan-2-yl)-2-(3-hydroxy-1-adamantyl)ethanone

2-amino-1-(2-azabicyclo[3.1.0]hexan-2-yl)-2-(3-hydroxy-1-adamantyl)ethanone (PubChem CID 22250559) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-1-(2-azabicyclo[3.1.0]hexan-2-yl)-2-(3-hydroxy-1-adamantyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-azabicyclo[3.1.0]hexan-2-yl)-2-(3-hydroxy-1-adamantyl)ethanone
PubChem CID22250559
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-amino-1-(2-azabicyclo[3.1.0]hexan-2-yl)-2-(3-hydroxy-1-adamantyl)ethanone
SMILESNC(C(=O)N1CCC2CC21)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C17H26N2O2/c18-14(15(20)19-2-1-12-4-13(12)19)16-5-10-3-11(6-16)8-17(21,7-10)9-16/h10-14,21H,1-9,18H2
InChIKeyIUSIQPDIGXHBJQ-UHFFFAOYSA-N
XLogP1.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-azabicyclo[3.1.0]hexan-2-yl)-2-(3-hydroxy-1-adamantyl)ethanone?
The IUPAC name of 2-amino-1-(2-azabicyclo[3.1.0]hexan-2-yl)-2-(3-hydroxy-1-adamantyl)ethanone (CID 22250559) is 2-amino-1-(2-azabicyclo[3.1.0]hexan-2-yl)-2-(3-hydroxy-1-adamantyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-azabicyclo[3.1.0]hexan-2-yl)-2-(3-hydroxy-1-adamantyl)ethanone?
The canonical SMILES for 2-amino-1-(2-azabicyclo[3.1.0]hexan-2-yl)-2-(3-hydroxy-1-adamantyl)ethanone is NC(C(=O)N1CCC2CC21)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 2-amino-1-(2-azabicyclo[3.1.0]hexan-2-yl)-2-(3-hydroxy-1-adamantyl)ethanone?
The InChIKey is IUSIQPDIGXHBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-14(15(20)19-2-1-12-4-13(12)19)16-5-10-3-11(6-16)8-17(21,7-10)9-16/h10-14,21H,1-9,18H2.
What are the key properties of 2-amino-1-(2-azabicyclo[3.1.0]hexan-2-yl)-2-(3-hydroxy-1-adamantyl)ethanone?
2-amino-1-(2-azabicyclo[3.1.0]hexan-2-yl)-2-(3-hydroxy-1-adamantyl)ethanone has a molecular weight of 290.41 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-azabicyclo[3.1.0]hexan-2-yl)-2-(3-hydroxy-1-adamantyl)ethanone is sourced from PubChem (CID 22250559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).