3,5-dimethyladamantan-1-amine;propanoic acid

C15H27NO2 — CID 25168431

IUPAC3,5-dimethyladamantan-1-amine;propanoic acid
SMILESCC12CC3CC(C)(C1)CC(N)(C3)C2.CCC(=O)O
InChIInChI=1S/C12H21N.C3H6O2/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;1-2-3(4)5/h9H,3-8,13H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyPPIOYDIFQGEHOJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.18
Rot. Bonds1

About 3,5-dimethyladamantan-1-amine;propanoic acid

3,5-dimethyladamantan-1-amine;propanoic acid (PubChem CID 25168431) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3,5-dimethyladamantan-1-amine;propanoic acid.

Molecular Properties

Compound Name3,5-dimethyladamantan-1-amine;propanoic acid
PubChem CID25168431
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3,5-dimethyladamantan-1-amine;propanoic acid
SMILESCC12CC3CC(C)(C1)CC(N)(C3)C2.CCC(=O)O
InChIInChI=1S/C12H21N.C3H6O2/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;1-2-3(4)5/h9H,3-8,13H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyPPIOYDIFQGEHOJ-UHFFFAOYSA-N
XLogP3.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyladamantan-1-amine;propanoic acid?
The IUPAC name of 3,5-dimethyladamantan-1-amine;propanoic acid (CID 25168431) is 3,5-dimethyladamantan-1-amine;propanoic acid.
What is the SMILES notation for 3,5-dimethyladamantan-1-amine;propanoic acid?
The canonical SMILES for 3,5-dimethyladamantan-1-amine;propanoic acid is CC12CC3CC(C)(C1)CC(N)(C3)C2.CCC(=O)O.
What is the InChIKey of 3,5-dimethyladamantan-1-amine;propanoic acid?
The InChIKey is PPIOYDIFQGEHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.C3H6O2/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;1-2-3(4)5/h9H,3-8,13H2,1-2H3;2H2,1H3,(H,4,5).
What are the key properties of 3,5-dimethyladamantan-1-amine;propanoic acid?
3,5-dimethyladamantan-1-amine;propanoic acid has a molecular weight of 253.39 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyladamantan-1-amine;propanoic acid is sourced from PubChem (CID 25168431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).