3,5-dimethyladamantan-1-amine;methanol

C13H25NO — CID 175025323

IUPAC3,5-dimethyladamantan-1-amine;methanol
SMILESCC12CC3CC(C)(C1)CC(N)(C3)C2.CO
InChIInChI=1S/C12H21N.CH4O/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;1-2/h9H,3-8,13H2,1-2H3;2H,1H3
InChIKeyDDRZWPJECHNVQG-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.30
Rot. Bonds

About 3,5-dimethyladamantan-1-amine;methanol

3,5-dimethyladamantan-1-amine;methanol (PubChem CID 175025323) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3,5-dimethyladamantan-1-amine;methanol.

Molecular Properties

Compound Name3,5-dimethyladamantan-1-amine;methanol
PubChem CID175025323
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3,5-dimethyladamantan-1-amine;methanol
SMILESCC12CC3CC(C)(C1)CC(N)(C3)C2.CO
InChIInChI=1S/C12H21N.CH4O/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;1-2/h9H,3-8,13H2,1-2H3;2H,1H3
InChIKeyDDRZWPJECHNVQG-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.30
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;methanol?
The IUPAC name of 3,5-dimethyladamantan-1-amine;methanol (CID 175025323) is 3,5-dimethyladamantan-1-amine;methanol.
What is the SMILES notation for 3,5-dimethyladamantan-1-amine;methanol?
The canonical SMILES for 3,5-dimethyladamantan-1-amine;methanol is CC12CC3CC(C)(C1)CC(N)(C3)C2.CO.
What is the InChIKey of 3,5-dimethyladamantan-1-amine;methanol?
The InChIKey is DDRZWPJECHNVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.CH4O/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;1-2/h9H,3-8,13H2,1-2H3;2H,1H3.
What are the key properties of 3,5-dimethyladamantan-1-amine;methanol?
3,5-dimethyladamantan-1-amine;methanol has a molecular weight of 211.35 g/mol, XLogP of 2.30, 0 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;methanol is sourced from PubChem (CID 175025323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).