1-(3,5-dimethyl-1-adamantyl)-2-methoxyethanamine

C15H27NO — CID 79986402

IUPAC1-(3,5-dimethyl-1-adamantyl)-2-methoxyethanamine
SMILESCOCC(N)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C15H27NO/c1-13-4-11-5-14(2,8-13)10-15(6-11,9-13)12(16)7-17-3/h11-12H,4-10,16H2,1-3H3
InChIKeyVKSOWTIZDXBIMW-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.96
Rot. Bonds3

About 1-(3,5-dimethyl-1-adamantyl)-2-methoxyethanamine

1-(3,5-dimethyl-1-adamantyl)-2-methoxyethanamine (PubChem CID 79986402) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-adamantyl)-2-methoxyethanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-adamantyl)-2-methoxyethanamine
PubChem CID79986402
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(3,5-dimethyl-1-adamantyl)-2-methoxyethanamine
SMILESCOCC(N)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C15H27NO/c1-13-4-11-5-14(2,8-13)10-15(6-11,9-13)12(16)7-17-3/h11-12H,4-10,16H2,1-3H3
InChIKeyVKSOWTIZDXBIMW-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-dimethyl-1-adamantyl)-2-methoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-2-methoxyethanamine?
The IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-2-methoxyethanamine (CID 79986402) is 1-(3,5-dimethyl-1-adamantyl)-2-methoxyethanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1-adamantyl)-2-methoxyethanamine?
The canonical SMILES for 1-(3,5-dimethyl-1-adamantyl)-2-methoxyethanamine is COCC(N)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 1-(3,5-dimethyl-1-adamantyl)-2-methoxyethanamine?
The InChIKey is VKSOWTIZDXBIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-13-4-11-5-14(2,8-13)10-15(6-11,9-13)12(16)7-17-3/h11-12H,4-10,16H2,1-3H3.
What are the key properties of 1-(3,5-dimethyl-1-adamantyl)-2-methoxyethanamine?
1-(3,5-dimethyl-1-adamantyl)-2-methoxyethanamine has a molecular weight of 237.39 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-adamantyl)-2-methoxyethanamine is sourced from PubChem (CID 79986402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).