1-(1-adamantyl)-N-methyl-2-pentan-2-yloxyethanamine

C18H33NO — CID 102981201

IUPAC1-(1-adamantyl)-N-methyl-2-pentan-2-yloxyethanamine
SMILESCCCC(C)OCC(NC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H33NO/c1-4-5-13(2)20-12-17(19-3)18-9-14-6-15(10-18)8-16(7-14)11-18/h13-17,19H,4-12H2,1-3H3
InChIKeyFKNVBXVFOXLEBU-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.00
Rot. Bonds7

About 1-(1-adamantyl)-N-methyl-2-pentan-2-yloxyethanamine

1-(1-adamantyl)-N-methyl-2-pentan-2-yloxyethanamine (PubChem CID 102981201) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-methyl-2-pentan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-methyl-2-pentan-2-yloxyethanamine
PubChem CID102981201
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1-(1-adamantyl)-N-methyl-2-pentan-2-yloxyethanamine
SMILESCCCC(C)OCC(NC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H33NO/c1-4-5-13(2)20-12-17(19-3)18-9-14-6-15(10-18)8-16(7-14)11-18/h13-17,19H,4-12H2,1-3H3
InChIKeyFKNVBXVFOXLEBU-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-methyl-2-pentan-2-yloxyethanamine?
The IUPAC name of 1-(1-adamantyl)-N-methyl-2-pentan-2-yloxyethanamine (CID 102981201) is 1-(1-adamantyl)-N-methyl-2-pentan-2-yloxyethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-methyl-2-pentan-2-yloxyethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-methyl-2-pentan-2-yloxyethanamine is CCCC(C)OCC(NC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-methyl-2-pentan-2-yloxyethanamine?
The InChIKey is FKNVBXVFOXLEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-4-5-13(2)20-12-17(19-3)18-9-14-6-15(10-18)8-16(7-14)11-18/h13-17,19H,4-12H2,1-3H3.
What are the key properties of 1-(1-adamantyl)-N-methyl-2-pentan-2-yloxyethanamine?
1-(1-adamantyl)-N-methyl-2-pentan-2-yloxyethanamine has a molecular weight of 279.47 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-methyl-2-pentan-2-yloxyethanamine is sourced from PubChem (CID 102981201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).