3,5-dimethyladamantan-1-amine;hydrate

C12H23NO — CID 67111013

IUPAC3,5-dimethyladamantan-1-amine;hydrate
SMILESCC12CC3CC(C)(C1)CC(N)(C3)C2.O
InChIInChI=1S/C12H21N.H2O/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H2
InChIKeyOPHKWNYGCDCGOQ-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.87
Rot. Bonds

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

3,5-dimethyladamantan-1-amine;hydrate (PubChem CID 67111013) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3,5-dimethyladamantan-1-amine;hydrate.

Molecular Properties

Compound Name3,5-dimethyladamantan-1-amine;hydrate
PubChem CID67111013
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3,5-dimethyladamantan-1-amine;hydrate
SMILESCC12CC3CC(C)(C1)CC(N)(C3)C2.O
InChIInChI=1S/C12H21N.H2O/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H2
InChIKeyOPHKWNYGCDCGOQ-UHFFFAOYSA-N
XLogP1.87
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyladamantan-1-amine;hydrate?
The IUPAC name of 3,5-dimethyladamantan-1-amine;hydrate (CID 67111013) is 3,5-dimethyladamantan-1-amine;hydrate.
What is the SMILES notation for 3,5-dimethyladamantan-1-amine;hydrate?
The canonical SMILES for 3,5-dimethyladamantan-1-amine;hydrate is CC12CC3CC(C)(C1)CC(N)(C3)C2.O.
What is the InChIKey of 3,5-dimethyladamantan-1-amine;hydrate?
The InChIKey is OPHKWNYGCDCGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.H2O/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H2.
What are the key properties of 3,5-dimethyladamantan-1-amine;hydrate?
3,5-dimethyladamantan-1-amine;hydrate has a molecular weight of 197.32 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyladamantan-1-amine;hydrate is sourced from PubChem (CID 67111013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).