1-(1-adamantyl)-2-(4-methylpentan-2-yloxy)ethanamine

C18H33NO — CID 43105658

IUPAC1-(1-adamantyl)-2-(4-methylpentan-2-yloxy)ethanamine
SMILESCC(C)CC(C)OCC(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H33NO/c1-12(2)4-13(3)20-11-17(19)18-8-14-5-15(9-18)7-16(6-14)10-18/h12-17H,4-11,19H2,1-3H3
InChIKeyXEVRJHAIMARUJI-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.98
Rot. Bonds6

About 1-(1-adamantyl)-2-(4-methylpentan-2-yloxy)ethanamine

1-(1-adamantyl)-2-(4-methylpentan-2-yloxy)ethanamine (PubChem CID 43105658) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(4-methylpentan-2-yloxy)ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(4-methylpentan-2-yloxy)ethanamine
PubChem CID43105658
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1-(1-adamantyl)-2-(4-methylpentan-2-yloxy)ethanamine
SMILESCC(C)CC(C)OCC(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H33NO/c1-12(2)4-13(3)20-11-17(19)18-8-14-5-15(9-18)7-16(6-14)10-18/h12-17H,4-11,19H2,1-3H3
InChIKeyXEVRJHAIMARUJI-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.98
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-(4-methylpentan-2-yloxy)ethanamine?
The IUPAC name of 1-(1-adamantyl)-2-(4-methylpentan-2-yloxy)ethanamine (CID 43105658) is 1-(1-adamantyl)-2-(4-methylpentan-2-yloxy)ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-(4-methylpentan-2-yloxy)ethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-(4-methylpentan-2-yloxy)ethanamine is CC(C)CC(C)OCC(N)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-(4-methylpentan-2-yloxy)ethanamine?
The InChIKey is XEVRJHAIMARUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-12(2)4-13(3)20-11-17(19)18-8-14-5-15(9-18)7-16(6-14)10-18/h12-17H,4-11,19H2,1-3H3.
What are the key properties of 1-(1-adamantyl)-2-(4-methylpentan-2-yloxy)ethanamine?
1-(1-adamantyl)-2-(4-methylpentan-2-yloxy)ethanamine has a molecular weight of 279.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(4-methylpentan-2-yloxy)ethanamine is sourced from PubChem (CID 43105658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).