1-(1-adamantyl)-2-ethoxyethanamine

C14H25NO — CID 16792938

IUPAC1-(1-adamantyl)-2-ethoxyethanamine
SMILESCCOCC(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25NO/c1-2-16-9-13(15)14-6-10-3-11(7-14)5-12(4-10)8-14/h10-13H,2-9,15H2,1H3
InChIKeyOMCRPCDNNYYRFS-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.57
Rot. Bonds4

About 1-(1-adamantyl)-2-ethoxyethanamine

1-(1-adamantyl)-2-ethoxyethanamine (PubChem CID 16792938) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-ethoxyethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-ethoxyethanamine
PubChem CID16792938
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(1-adamantyl)-2-ethoxyethanamine
SMILESCCOCC(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25NO/c1-2-16-9-13(15)14-6-10-3-11(7-14)5-12(4-10)8-14/h10-13H,2-9,15H2,1H3
InChIKeyOMCRPCDNNYYRFS-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Adamantan-1-yl)-2-aminoethan-1-ol
CID 2835979
2-Adamantan-1-yl-2-amino-ethanol
CID 2835978
2-[(3,5-Dimethyl-1-adamantyl)oxy]ethanamine
CID 303801
(R)-2-(Adamantan-1-yl)-2-aminoethanol
CID 789781
1-(Adamantan-1-yl)-2-hydroxyethan-1-aminium chloride
CID 137331627
1-(1-Adamantyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16785317
1-(1-adamantyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61756103
1-(1-Adamantyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275214
1-(1-adamantyl)-2-(2,2-difluoroethoxy)-N-methylethanamine
CID 82004959
1-(1-Adamantyl)-2-(2,2-difluoroethoxy)ethanamine
CID 82005059
1-(1-Adamantyl)-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82782797
1-(1-Adamantyl)-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82954065

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-ethoxyethanamine?
The IUPAC name of 1-(1-adamantyl)-2-ethoxyethanamine (CID 16792938) is 1-(1-adamantyl)-2-ethoxyethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-ethoxyethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-ethoxyethanamine is CCOCC(N)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-ethoxyethanamine?
The InChIKey is OMCRPCDNNYYRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-16-9-13(15)14-6-10-3-11(7-14)5-12(4-10)8-14/h10-13H,2-9,15H2,1H3.
What are the key properties of 1-(1-adamantyl)-2-ethoxyethanamine?
1-(1-adamantyl)-2-ethoxyethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-ethoxyethanamine is sourced from PubChem (CID 16792938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).