3-propan-2-yladamantan-1-amine

C13H23N — CID 5100144

IUPAC3-propan-2-yladamantan-1-amine
SMILESCC(C)C12CC3CC(CC(N)(C3)C1)C2
InChIInChI=1S/C13H23N/c1-9(2)12-4-10-3-11(5-12)7-13(14,6-10)8-12/h9-11H,3-8,14H2,1-2H3
InChIKeyUNZLVAUDWGXALA-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.94
Rot. Bonds1

About 3-propan-2-yladamantan-1-amine

3-propan-2-yladamantan-1-amine (PubChem CID 5100144) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3-propan-2-yladamantan-1-amine.

Molecular Properties

Compound Name3-propan-2-yladamantan-1-amine
PubChem CID5100144
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3-propan-2-yladamantan-1-amine
SMILESCC(C)C12CC3CC(CC(N)(C3)C1)C2
InChIInChI=1S/C13H23N/c1-9(2)12-4-10-3-11(5-12)7-13(14,6-10)8-12/h9-11H,3-8,14H2,1-2H3
InChIKeyUNZLVAUDWGXALA-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-propan-2-yladamantan-1-amine 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 3-propan-2-yladamantan-1-amine?
The IUPAC name of 3-propan-2-yladamantan-1-amine (CID 5100144) is 3-propan-2-yladamantan-1-amine.
What is the SMILES notation for 3-propan-2-yladamantan-1-amine?
The canonical SMILES for 3-propan-2-yladamantan-1-amine is CC(C)C12CC3CC(CC(N)(C3)C1)C2.
What is the InChIKey of 3-propan-2-yladamantan-1-amine?
The InChIKey is UNZLVAUDWGXALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-9(2)12-4-10-3-11(5-12)7-13(14,6-10)8-12/h9-11H,3-8,14H2,1-2H3.
What are the key properties of 3-propan-2-yladamantan-1-amine?
3-propan-2-yladamantan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yladamantan-1-amine is sourced from PubChem (CID 5100144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).