1-(1-adamantyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine

C16H29NO — CID 82719891

IUPAC1-(1-adamantyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(NOC(C)(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H29NO/c1-11(17-18-15(2,3)4)16-8-12-5-13(9-16)7-14(6-12)10-16/h11-14,17H,5-10H2,1-4H3
InChIKeyFBTJRXSTZKTUDW-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.91
Rot. Bonds3

About 1-(1-adamantyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine

1-(1-adamantyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 82719891) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID82719891
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-(1-adamantyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(NOC(C)(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H29NO/c1-11(17-18-15(2,3)4)16-8-12-5-13(9-16)7-14(6-12)10-16/h11-14,17H,5-10H2,1-4H3
InChIKeyFBTJRXSTZKTUDW-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 1-(1-adamantyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine (CID 82719891) is 1-(1-adamantyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine is CC(NOC(C)(C)C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is FBTJRXSTZKTUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-11(17-18-15(2,3)4)16-8-12-5-13(9-16)7-14(6-12)10-16/h11-14,17H,5-10H2,1-4H3.
What are the key properties of 1-(1-adamantyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
1-(1-adamantyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 251.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 82719891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).