3-(2-adamantylamino)-2-methylbutan-2-ol

C15H27NO — CID 65337607

IUPAC3-(2-adamantylamino)-2-methylbutan-2-ol
SMILESCC(NC1C2CC3CC(C2)CC1C3)C(C)(C)O
InChIInChI=1S/C15H27NO/c1-9(15(2,3)17)16-14-12-5-10-4-11(7-12)8-13(14)6-10/h9-14,16-17H,4-8H2,1-3H3
InChIKeyQUCHODLFNMIVIO-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.56
Rot. Bonds3

About 3-(2-adamantylamino)-2-methylbutan-2-ol

3-(2-adamantylamino)-2-methylbutan-2-ol (PubChem CID 65337607) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-(2-adamantylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-(2-adamantylamino)-2-methylbutan-2-ol
PubChem CID65337607
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-(2-adamantylamino)-2-methylbutan-2-ol
SMILESCC(NC1C2CC3CC(C2)CC1C3)C(C)(C)O
InChIInChI=1S/C15H27NO/c1-9(15(2,3)17)16-14-12-5-10-4-11(7-12)8-13(14)6-10/h9-14,16-17H,4-8H2,1-3H3
InChIKeyQUCHODLFNMIVIO-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-adamantylamino)-2-methylbutan-2-ol?
The IUPAC name of 3-(2-adamantylamino)-2-methylbutan-2-ol (CID 65337607) is 3-(2-adamantylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 3-(2-adamantylamino)-2-methylbutan-2-ol?
The canonical SMILES for 3-(2-adamantylamino)-2-methylbutan-2-ol is CC(NC1C2CC3CC(C2)CC1C3)C(C)(C)O.
What is the InChIKey of 3-(2-adamantylamino)-2-methylbutan-2-ol?
The InChIKey is QUCHODLFNMIVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-9(15(2,3)17)16-14-12-5-10-4-11(7-12)8-13(14)6-10/h9-14,16-17H,4-8H2,1-3H3.
What are the key properties of 3-(2-adamantylamino)-2-methylbutan-2-ol?
3-(2-adamantylamino)-2-methylbutan-2-ol has a molecular weight of 237.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-adamantylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 65337607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).