1-(1-adamantyl)-2-cyclopropylethanamine

C15H25N — CID 64904037

IUPAC1-(1-adamantyl)-2-cyclopropylethanamine
SMILESNC(CC1CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25N/c16-14(6-10-1-2-10)15-7-11-3-12(8-15)5-13(4-11)9-15/h10-14H,1-9,16H2
InChIKeyTUPXDBZTUMBJBX-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.33
Rot. Bonds3

About 1-(1-adamantyl)-2-cyclopropylethanamine

1-(1-adamantyl)-2-cyclopropylethanamine (PubChem CID 64904037) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-cyclopropylethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-cyclopropylethanamine
PubChem CID64904037
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(1-adamantyl)-2-cyclopropylethanamine
SMILESNC(CC1CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25N/c16-14(6-10-1-2-10)15-7-11-3-12(8-15)5-13(4-11)9-15/h10-14H,1-9,16H2
InChIKeyTUPXDBZTUMBJBX-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(1-adamantyl)-2-cyclopropylethanamine 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-(1-adamantyl)-2-cyclopropylethanamine?
The IUPAC name of 1-(1-adamantyl)-2-cyclopropylethanamine (CID 64904037) is 1-(1-adamantyl)-2-cyclopropylethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-cyclopropylethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-cyclopropylethanamine is NC(CC1CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-cyclopropylethanamine?
The InChIKey is TUPXDBZTUMBJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c16-14(6-10-1-2-10)15-7-11-3-12(8-15)5-13(4-11)9-15/h10-14H,1-9,16H2.
What are the key properties of 1-(1-adamantyl)-2-cyclopropylethanamine?
1-(1-adamantyl)-2-cyclopropylethanamine has a molecular weight of 219.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-cyclopropylethanamine is sourced from PubChem (CID 64904037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).