(1R,2R,5R)-2-(tert-butylamino)-1,8,8-trimethylbicyclo[3.2.1]octan-3-one

C15H27NO — CID 102055267

IUPAC(1R,2R,5R)-2-(tert-butylamino)-1,8,8-trimethylbicyclo[3.2.1]octan-3-one
SMILESCC(C)(C)N[C@H]1C(=O)C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C15H27NO/c1-13(2,3)16-12-11(17)9-10-7-8-15(12,6)14(10,4)5/h10,12,16H,7-9H2,1-6H3/t10-,12+,15+/m1/s1
InChIKeyLARHSXPYPDVJLE-GMXABZIVSA-N
MW237.39 g/mol
LogP3.16
Rot. Bonds1

About (1R,2R,5R)-2-(tert-butylamino)-1,8,8-trimethylbicyclo[3.2.1]octan-3-one

(1R,2R,5R)-2-(tert-butylamino)-1,8,8-trimethylbicyclo[3.2.1]octan-3-one (PubChem CID 102055267) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (1R,2R,5R)-2-(tert-butylamino)-1,8,8-trimethylbicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1R,2R,5R)-2-(tert-butylamino)-1,8,8-trimethylbicyclo[3.2.1]octan-3-one
PubChem CID102055267
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(1R,2R,5R)-2-(tert-butylamino)-1,8,8-trimethylbicyclo[3.2.1]octan-3-one
SMILESCC(C)(C)N[C@H]1C(=O)C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C15H27NO/c1-13(2,3)16-12-11(17)9-10-7-8-15(12,6)14(10,4)5/h10,12,16H,7-9H2,1-6H3/t10-,12+,15+/m1/s1
InChIKeyLARHSXPYPDVJLE-GMXABZIVSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-2-(tert-butylamino)-1,8,8-trimethylbicyclo[3.2.1]octan-3-one?
The IUPAC name of (1R,2R,5R)-2-(tert-butylamino)-1,8,8-trimethylbicyclo[3.2.1]octan-3-one (CID 102055267) is (1R,2R,5R)-2-(tert-butylamino)-1,8,8-trimethylbicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1R,2R,5R)-2-(tert-butylamino)-1,8,8-trimethylbicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1R,2R,5R)-2-(tert-butylamino)-1,8,8-trimethylbicyclo[3.2.1]octan-3-one is CC(C)(C)N[C@H]1C(=O)C[C@H]2CC[C@]1(C)C2(C)C.
What is the InChIKey of (1R,2R,5R)-2-(tert-butylamino)-1,8,8-trimethylbicyclo[3.2.1]octan-3-one?
The InChIKey is LARHSXPYPDVJLE-GMXABZIVSA-N. The full InChI is InChI=1S/C15H27NO/c1-13(2,3)16-12-11(17)9-10-7-8-15(12,6)14(10,4)5/h10,12,16H,7-9H2,1-6H3/t10-,12+,15+/m1/s1.
What are the key properties of (1R,2R,5R)-2-(tert-butylamino)-1,8,8-trimethylbicyclo[3.2.1]octan-3-one?
(1R,2R,5R)-2-(tert-butylamino)-1,8,8-trimethylbicyclo[3.2.1]octan-3-one has a molecular weight of 237.39 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-2-(tert-butylamino)-1,8,8-trimethylbicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 102055267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).