1-(1-adamantyl)-2,2-dimethyladamantane

C22H34 — CID 151845126

IUPAC1-(1-adamantyl)-2,2-dimethyladamantane
SMILESCC1(C)C2CC3CC(C2)CC1(C12CC4CC(CC(C4)C1)C2)C3
InChIInChI=1S/C22H34/c1-20(2)19-7-17-6-18(8-19)13-22(20,12-17)21-9-14-3-15(10-21)5-16(4-14)11-21/h14-19H,3-13H2,1-2H3
InChIKeySHMKFEZNTNLXRE-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.06
Rot. Bonds1

About 1-(1-adamantyl)-2,2-dimethyladamantane

1-(1-adamantyl)-2,2-dimethyladamantane (PubChem CID 151845126) has the molecular formula C22H34 and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-(1-adamantyl)-2,2-dimethyladamantane.

Molecular Properties

Compound Name1-(1-adamantyl)-2,2-dimethyladamantane
PubChem CID151845126
Molecular FormulaC22H34
Molecular Weight298.51 g/mol
Exact Mass298.27
IUPAC Name1-(1-adamantyl)-2,2-dimethyladamantane
SMILESCC1(C)C2CC3CC(C2)CC1(C12CC4CC(CC(C4)C1)C2)C3
InChIInChI=1S/C22H34/c1-20(2)19-7-17-6-18(8-19)13-22(20,12-17)21-9-14-3-15(10-21)5-16(4-14)11-21/h14-19H,3-13H2,1-2H3
InChIKeySHMKFEZNTNLXRE-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

azane;1,2,2-trimethyladamantane;dihydrate
CID 174964765
1-(2,2-dimethyl-1-adamantyl)piperidine
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2,2,3,3-tetramethylbicyclo[2.1.1]hexane
CID 123143747
(1,2-dimethyl-2-adamantyl)phosphane
CID 68592204
2,2-dimethyladamantane;ethane
CID 91483373
adamantane;1-methyladamantane
CID 53425859
2-(1-adamantyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 141298497
(E)-3-(2,2-dimethyl-1-adamantyl)-2-methylprop-2-enoate
CID 23198232
1,4,4-trimethyladamantane
CID 123338227
(2S,7S)-2-cyclohexyl-2-methyladamantan-1-amine
CID 69371168
4-[[1-(1-adamantyl)-2-(4-carboxyphenoxy)-2-adamantyl]oxy]benzoic acid
CID 67520649
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2,2-dimethyladamantane?
The IUPAC name of 1-(1-adamantyl)-2,2-dimethyladamantane (CID 151845126) is 1-(1-adamantyl)-2,2-dimethyladamantane.
What is the SMILES notation for 1-(1-adamantyl)-2,2-dimethyladamantane?
The canonical SMILES for 1-(1-adamantyl)-2,2-dimethyladamantane is CC1(C)C2CC3CC(C2)CC1(C12CC4CC(CC(C4)C1)C2)C3.
What is the InChIKey of 1-(1-adamantyl)-2,2-dimethyladamantane?
The InChIKey is SHMKFEZNTNLXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34/c1-20(2)19-7-17-6-18(8-19)13-22(20,12-17)21-9-14-3-15(10-21)5-16(4-14)11-21/h14-19H,3-13H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-2,2-dimethyladamantane?
1-(1-adamantyl)-2,2-dimethyladamantane has a molecular weight of 298.51 g/mol, XLogP of 6.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2,2-dimethyladamantane is sourced from PubChem (CID 151845126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).