(1S)-1-(1-adamantyl)-N-methoxyethanamine

C13H23NO — CID 164724198

IUPAC(1S)-1-(1-adamantyl)-N-methoxyethanamine
SMILESCON[C@@H](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/t9-,10?,11?,12?,13?/m0/s1
InChIKeyPQZQWNYJEONRMW-TWJXAIAZSA-N
MW209.33 g/mol
LogP2.74
Rot. Bonds3

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

(1S)-1-(1-adamantyl)-N-methoxyethanamine (PubChem CID 164724198) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (1S)-1-(1-adamantyl)-N-methoxyethanamine.

Molecular Properties

Compound Name(1S)-1-(1-adamantyl)-N-methoxyethanamine
PubChem CID164724198
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(1S)-1-(1-adamantyl)-N-methoxyethanamine
SMILESCON[C@@H](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/t9-,10?,11?,12?,13?/m0/s1
InChIKeyPQZQWNYJEONRMW-TWJXAIAZSA-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

1-(1-adamantyl)ethylhydrazine
CID 23008707
N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide
CID 47300282
N-[1-(1-adamantyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79352687
N-[1-(1-adamantyl)ethyl]propane-1-sulfonamide
CID 47105687
1-propan-2-yladamantane;1-propan-2-ylbicyclo[1.1.1]pentane
CID 159977923
N-[1-(1-adamantyl)ethyl]cyclohexanamine
CID 11777452
N-[1-(1-adamantyl)ethyl]prop-2-yn-1-amine
CID 4724201
N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide
CID 2834608
1-(1-adamantyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462111
N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide
CID 7065184
2-[1-(1-adamantyl)ethylamino]propanoic acid
CID 54959577
(1R)-1-(1-adamantyl)ethanamine
CID 7048786

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-adamantyl)-N-methoxyethanamine?
The IUPAC name of (1S)-1-(1-adamantyl)-N-methoxyethanamine (CID 164724198) is (1S)-1-(1-adamantyl)-N-methoxyethanamine.
What is the SMILES notation for (1S)-1-(1-adamantyl)-N-methoxyethanamine?
The canonical SMILES for (1S)-1-(1-adamantyl)-N-methoxyethanamine is CON[C@@H](C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (1S)-1-(1-adamantyl)-N-methoxyethanamine?
The InChIKey is PQZQWNYJEONRMW-TWJXAIAZSA-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/t9-,10?,11?,12?,13?/m0/s1.
What are the key properties of (1S)-1-(1-adamantyl)-N-methoxyethanamine?
(1S)-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 (1S)-1-(1-adamantyl)-N-methoxyethanamine is sourced from PubChem (CID 164724198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).