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

C14H25N — CID 10242135

IUPAC2-(3,5-dimethyl-1-adamantyl)ethanamine
SMILESCC12CC3CC(C)(C1)CC(CCN)(C3)C2
InChIInChI=1S/C14H25N/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)3-4-15/h11H,3-10,15H2,1-2H3
InChIKeyDZBQIMQORVBIJQ-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.33
Rot. Bonds2

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

2-(3,5-dimethyl-1-adamantyl)ethanamine (PubChem CID 10242135) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-adamantyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-adamantyl)ethanamine
PubChem CID10242135
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2-(3,5-dimethyl-1-adamantyl)ethanamine
SMILESCC12CC3CC(C)(C1)CC(CCN)(C3)C2
InChIInChI=1S/C14H25N/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)3-4-15/h11H,3-10,15H2,1-2H3
InChIKeyDZBQIMQORVBIJQ-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-adamantyl)ethanamine?
The IUPAC name of 2-(3,5-dimethyl-1-adamantyl)ethanamine (CID 10242135) is 2-(3,5-dimethyl-1-adamantyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethyl-1-adamantyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethyl-1-adamantyl)ethanamine is CC12CC3CC(C)(C1)CC(CCN)(C3)C2.
What is the InChIKey of 2-(3,5-dimethyl-1-adamantyl)ethanamine?
The InChIKey is DZBQIMQORVBIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)3-4-15/h11H,3-10,15H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1-adamantyl)ethanamine?
2-(3,5-dimethyl-1-adamantyl)ethanamine has a molecular weight of 207.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-adamantyl)ethanamine is sourced from PubChem (CID 10242135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).