2-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine

C15H23N3 — CID 43650958

IUPAC2-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine
SMILESNCCc1ncc(C23CC4CC(CC(C4)C2)C3)[nH]1
InChIInChI=1S/C15H23N3/c16-2-1-14-17-9-13(18-14)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-12H,1-8,16H2,(H,17,18)
InChIKeySBUJTYDIAMYUIE-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.38
Rot. Bonds3

About 2-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine

2-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine (PubChem CID 43650958) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine
PubChem CID43650958
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine
SMILESNCCc1ncc(C23CC4CC(CC(C4)C2)C3)[nH]1
InChIInChI=1S/C15H23N3/c16-2-1-14-17-9-13(18-14)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-12H,1-8,16H2,(H,17,18)
InChIKeySBUJTYDIAMYUIE-UHFFFAOYSA-N
XLogP2.38
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine (CID 43650958) is 2-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine is NCCc1ncc(C23CC4CC(CC(C4)C2)C3)[nH]1.
What is the InChIKey of 2-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is SBUJTYDIAMYUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c16-2-1-14-17-9-13(18-14)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-12H,1-8,16H2,(H,17,18).
What are the key properties of 2-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine?
2-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine has a molecular weight of 245.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 43650958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).