1-(1-adamantyl)-N-(2-methoxyethoxy)ethanamine

C15H27NO2 — CID 82714867

IUPAC1-(1-adamantyl)-N-(2-methoxyethoxy)ethanamine
SMILESCOCCONC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27NO2/c1-11(16-18-4-3-17-2)15-8-12-5-13(9-15)7-14(6-12)10-15/h11-14,16H,3-10H2,1-2H3
InChIKeyIWGOHZVKOISMLO-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.76
Rot. Bonds6

About 1-(1-adamantyl)-N-(2-methoxyethoxy)ethanamine

1-(1-adamantyl)-N-(2-methoxyethoxy)ethanamine (PubChem CID 82714867) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-(2-methoxyethoxy)ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-(2-methoxyethoxy)ethanamine
PubChem CID82714867
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-(1-adamantyl)-N-(2-methoxyethoxy)ethanamine
SMILESCOCCONC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27NO2/c1-11(16-18-4-3-17-2)15-8-12-5-13(9-15)7-14(6-12)10-15/h11-14,16H,3-10H2,1-2H3
InChIKeyIWGOHZVKOISMLO-UHFFFAOYSA-N
XLogP2.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-adamantyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82710899
(1S)-1-(1-adamantyl)-N-methoxyethanamine
CID 164724198
1-(1-adamantyl)-N-methoxyethanamine
CID 82706126
1-(1-adamantyl)-N-ethoxyethanamine
CID 82709557
N-ethoxyadamantan-2-amine
CID 82709877
N-(2-methylpropoxy)adamantan-2-amine
CID 82711549
1-(1-adamantyl)-N-(2-methylpropoxy)ethanamine
CID 82712188
N-(2-methoxyethoxy)adamantan-2-amine
CID 82714427
N-(2-methoxyethoxy)-3,3,5-trimethylcyclohexan-1-amine
CID 82714650
1-(1-adamantyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719891

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-(2-methoxyethoxy)ethanamine?
The IUPAC name of 1-(1-adamantyl)-N-(2-methoxyethoxy)ethanamine (CID 82714867) is 1-(1-adamantyl)-N-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-(2-methoxyethoxy)ethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-(2-methoxyethoxy)ethanamine is COCCONC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-(2-methoxyethoxy)ethanamine?
The InChIKey is IWGOHZVKOISMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11(16-18-4-3-17-2)15-8-12-5-13(9-15)7-14(6-12)10-15/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-N-(2-methoxyethoxy)ethanamine?
1-(1-adamantyl)-N-(2-methoxyethoxy)ethanamine has a molecular weight of 253.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 82714867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).