1-(1-adamantyl)-2-cyclobutyloxyethanamine

C16H27NO — CID 62142148

IUPAC1-(1-adamantyl)-2-cyclobutyloxyethanamine
SMILESNC(COC1CCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO/c17-15(10-18-14-2-1-3-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h11-15H,1-10,17H2
InChIKeyKQSJPYUXINJAGP-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.10
Rot. Bonds4

About 1-(1-adamantyl)-2-cyclobutyloxyethanamine

1-(1-adamantyl)-2-cyclobutyloxyethanamine (PubChem CID 62142148) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-cyclobutyloxyethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-cyclobutyloxyethanamine
PubChem CID62142148
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(1-adamantyl)-2-cyclobutyloxyethanamine
SMILESNC(COC1CCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO/c17-15(10-18-14-2-1-3-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h11-15H,1-10,17H2
InChIKeyKQSJPYUXINJAGP-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-cyclobutyloxyethanamine?
The IUPAC name of 1-(1-adamantyl)-2-cyclobutyloxyethanamine (CID 62142148) is 1-(1-adamantyl)-2-cyclobutyloxyethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-cyclobutyloxyethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-cyclobutyloxyethanamine is NC(COC1CCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-cyclobutyloxyethanamine?
The InChIKey is KQSJPYUXINJAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c17-15(10-18-14-2-1-3-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h11-15H,1-10,17H2.
What are the key properties of 1-(1-adamantyl)-2-cyclobutyloxyethanamine?
1-(1-adamantyl)-2-cyclobutyloxyethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-cyclobutyloxyethanamine is sourced from PubChem (CID 62142148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).