2-adamantyl(7H-purin-2-yloxy)methanamine

C16H21N5O — CID 18365122

IUPAC2-adamantyl(7H-purin-2-yloxy)methanamine
SMILESNC(Oc1ncc2[nH]cnc2n1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H21N5O/c17-14(22-16-18-6-12-15(21-16)20-7-19-12)13-10-2-8-1-9(4-10)5-11(13)3-8/h6-11,13-14H,1-5,17H2,(H,18,19,20,21)
InChIKeyWHJJERHTMNLGCA-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.09
Rot. Bonds3

About 2-adamantyl(7H-purin-2-yloxy)methanamine

2-adamantyl(7H-purin-2-yloxy)methanamine (PubChem CID 18365122) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-adamantyl(7H-purin-2-yloxy)methanamine.

Molecular Properties

Compound Name2-adamantyl(7H-purin-2-yloxy)methanamine
PubChem CID18365122
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-adamantyl(7H-purin-2-yloxy)methanamine
SMILESNC(Oc1ncc2[nH]cnc2n1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H21N5O/c17-14(22-16-18-6-12-15(21-16)20-7-19-12)13-10-2-8-1-9(4-10)5-11(13)3-8/h6-11,13-14H,1-5,17H2,(H,18,19,20,21)
InChIKeyWHJJERHTMNLGCA-UHFFFAOYSA-N
XLogP2.09
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-adamantyl(7H-purin-2-yloxy)methanamine?
The IUPAC name of 2-adamantyl(7H-purin-2-yloxy)methanamine (CID 18365122) is 2-adamantyl(7H-purin-2-yloxy)methanamine.
What is the SMILES notation for 2-adamantyl(7H-purin-2-yloxy)methanamine?
The canonical SMILES for 2-adamantyl(7H-purin-2-yloxy)methanamine is NC(Oc1ncc2[nH]cnc2n1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyl(7H-purin-2-yloxy)methanamine?
The InChIKey is WHJJERHTMNLGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c17-14(22-16-18-6-12-15(21-16)20-7-19-12)13-10-2-8-1-9(4-10)5-11(13)3-8/h6-11,13-14H,1-5,17H2,(H,18,19,20,21).
What are the key properties of 2-adamantyl(7H-purin-2-yloxy)methanamine?
2-adamantyl(7H-purin-2-yloxy)methanamine has a molecular weight of 299.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl(7H-purin-2-yloxy)methanamine is sourced from PubChem (CID 18365122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).