azane;1,2,2-trimethyladamantane;dihydrate

C13H32N2O2 — CID 174964765

IUPACazane;1,2,2-trimethyladamantane;dihydrate
SMILESCC12CC3CC(CC(C3)C1(C)C)C2.N.N.O.O
InChIInChI=1S/C13H22.2H3N.2H2O/c1-12(2)11-5-9-4-10(6-11)8-13(12,3)7-9;;;;/h9-11H,4-8H2,1-3H3;2*1H3;2*1H2
InChIKeyXVNNQLIKAQKUOL-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.53
Rot. Bonds

About azane;1,2,2-trimethyladamantane;dihydrate

azane;1,2,2-trimethyladamantane;dihydrate (PubChem CID 174964765) has the molecular formula C13H32N2O2 and a molecular weight of 248.41 g/mol. Its IUPAC name is azane;1,2,2-trimethyladamantane;dihydrate.

Molecular Properties

Compound Nameazane;1,2,2-trimethyladamantane;dihydrate
PubChem CID174964765
Molecular FormulaC13H32N2O2
Molecular Weight248.41 g/mol
Exact Mass248.25
IUPAC Nameazane;1,2,2-trimethyladamantane;dihydrate
SMILESCC12CC3CC(CC(C3)C1(C)C)C2.N.N.O.O
InChIInChI=1S/C13H22.2H3N.2H2O/c1-12(2)11-5-9-4-10(6-11)8-13(12,3)7-9;;;;/h9-11H,4-8H2,1-3H3;2*1H3;2*1H2
InChIKeyXVNNQLIKAQKUOL-UHFFFAOYSA-N
XLogP2.53
TPSA133.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1,2-dimethyl-2-adamantyl)phosphane
CID 68592204
1-(1-adamantyl)-2,2-dimethyladamantane
CID 151845126
1,2-dimethyladamantane-2-carbonitrile
CID 59962108
1-(2,2-dimethyl-1-adamantyl)piperidine
CID 71459394
2,2,3,3-tetramethylbicyclo[2.1.1]hexane
CID 123143747
2,2-dimethyladamantane;ethane
CID 91483373
adamantane;1-methyladamantane
CID 53425859
1,2,3-trimethyladamantan-2-ol
CID 139814607
(E)-3-(2,2-dimethyl-1-adamantyl)-2-methylprop-2-enoate
CID 23198232
1,4,4-trimethyladamantane
CID 123338227
1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate
CID 141349700
bis(2-methyl-2-adamantyl)diazene
CID 134985564

Frequently Asked Questions

What is the IUPAC name of azane;1,2,2-trimethyladamantane;dihydrate?
The IUPAC name of azane;1,2,2-trimethyladamantane;dihydrate (CID 174964765) is azane;1,2,2-trimethyladamantane;dihydrate.
What is the SMILES notation for azane;1,2,2-trimethyladamantane;dihydrate?
The canonical SMILES for azane;1,2,2-trimethyladamantane;dihydrate is CC12CC3CC(CC(C3)C1(C)C)C2.N.N.O.O.
What is the InChIKey of azane;1,2,2-trimethyladamantane;dihydrate?
The InChIKey is XVNNQLIKAQKUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22.2H3N.2H2O/c1-12(2)11-5-9-4-10(6-11)8-13(12,3)7-9;;;;/h9-11H,4-8H2,1-3H3;2*1H3;2*1H2.
What are the key properties of azane;1,2,2-trimethyladamantane;dihydrate?
azane;1,2,2-trimethyladamantane;dihydrate has a molecular weight of 248.41 g/mol, XLogP of 2.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,2,2-trimethyladamantane;dihydrate is sourced from PubChem (CID 174964765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).