1-(1-adamantyl)-N-ethoxyethanamine

C14H25NO — CID 82709557

IUPAC1-(1-adamantyl)-N-ethoxyethanamine
SMILESCCONC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25NO/c1-3-16-15-10(2)14-7-11-4-12(8-14)6-13(5-11)9-14/h10-13,15H,3-9H2,1-2H3
InChIKeyARNUWCCPIZQRNQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.13
Rot. Bonds4

About 1-(1-adamantyl)-N-ethoxyethanamine

1-(1-adamantyl)-N-ethoxyethanamine (PubChem CID 82709557) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-ethoxyethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-ethoxyethanamine
PubChem CID82709557
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(1-adamantyl)-N-ethoxyethanamine
SMILESCCONC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25NO/c1-3-16-15-10(2)14-7-11-4-12(8-14)6-13(5-11)9-14/h10-13,15H,3-9H2,1-2H3
InChIKeyARNUWCCPIZQRNQ-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.13
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)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82710899
(1S)-1-(1-adamantyl)-N-methoxyethanamine
CID 164724198
1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methoxyethanamine
CID 170043716
N-methoxyadamantan-2-amine
CID 15552593
N-(1-(adamantan-1-yl)ethyl)hydroxylamine
CID 23008706
1-(1-adamantyl)-N-methoxyethanamine
CID 82706126
N-ethoxy-3,3,5-trimethylcyclohexan-1-amine
CID 82709355
N-ethoxyadamantan-2-amine
CID 82709877
N-(2-methylpropoxy)adamantan-2-amine
CID 82711549
3,3,5-trimethyl-N-(2-methylpropoxy)cyclohexan-1-amine
CID 82711873
1-(1-adamantyl)-N-(2-methylpropoxy)ethanamine
CID 82712188
N-(2-methoxyethoxy)adamantan-2-amine
CID 82714427

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-ethoxyethanamine?
The IUPAC name of 1-(1-adamantyl)-N-ethoxyethanamine (CID 82709557) is 1-(1-adamantyl)-N-ethoxyethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-ethoxyethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-ethoxyethanamine is CCONC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-ethoxyethanamine?
The InChIKey is ARNUWCCPIZQRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-16-15-10(2)14-7-11-4-12(8-14)6-13(5-11)9-14/h10-13,15H,3-9H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-N-ethoxyethanamine?
1-(1-adamantyl)-N-ethoxyethanamine has a molecular weight of 223.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-ethoxyethanamine is sourced from PubChem (CID 82709557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).