1-(1-adamantyl)-N-methoxyethanamine

C13H23NO — CID 82706126

IUPAC1-(1-adamantyl)-N-methoxyethanamine
SMILESCONC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO/c1-9(14-15-2)13-6-10-3-11(7-13)5-12(4-10)8-13/h9-12,14H,3-8H2,1-2H3
InChIKeyPQZQWNYJEONRMW-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.74
Rot. Bonds3

About 1-(1-adamantyl)-N-methoxyethanamine

1-(1-adamantyl)-N-methoxyethanamine (PubChem CID 82706126) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-methoxyethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-methoxyethanamine
PubChem CID82706126
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(1-adamantyl)-N-methoxyethanamine
SMILESCONC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO/c1-9(14-15-2)13-6-10-3-11(7-13)5-12(4-10)8-13/h9-12,14H,3-8H2,1-2H3
InChIKeyPQZQWNYJEONRMW-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.74
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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Related Compounds

Rimantadine
CID 5071
Rimantadine Hydrochloride
CID 15165
(1R)-1-(adamantan-1-yl)ethan-1-amine
CID 7048786
(alphaS)-alpha-Methyltricyclo[3.3.1.13,7]decane-1-methanamine
CID 7048784
N-(1-adamantylmethyl)hydroxylamine
CID 87282911
Adapromine
CID 547499
Adamantane, 1-(2-aminopropyl)-, hydrochloride
CID 38374
Adamantylamphetamine
CID 38375
Adamantane, 1-(1-aminobutyl)-, hydrochloride
CID 44916
Tricyclo(3.3.1.13,7)decane-1-methanamine, alpha-butyl-, hydrochloride (1:1)
CID 44918
1-(Adamantan-1-yl)propan-1-amine hydrochloride
CID 2771130
1-(3,5-Dimethyladamantan-1-yl)ethan-1-amine hydrochloride
CID 2834551

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-methoxyethanamine?
The IUPAC name of 1-(1-adamantyl)-N-methoxyethanamine (CID 82706126) is 1-(1-adamantyl)-N-methoxyethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-methoxyethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-methoxyethanamine is CONC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-methoxyethanamine?
The InChIKey is PQZQWNYJEONRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9(14-15-2)13-6-10-3-11(7-13)5-12(4-10)8-13/h9-12,14H,3-8H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-N-methoxyethanamine?
1-(1-adamantyl)-N-methoxyethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.74, 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-methoxyethanamine is sourced from PubChem (CID 82706126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).