5,5,6-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-one

C13H23NO — CID 56694218

IUPAC5,5,6-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-one
SMILESCC(C)NC1C(=O)C2CC1C(C)(C)C2C
InChIInChI=1S/C13H23NO/c1-7(2)14-11-10-6-9(12(11)15)8(3)13(10,4)5/h7-11,14H,6H2,1-5H3
InChIKeyBFUURVQCHCCWLJ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.23
Rot. Bonds2

About 5,5,6-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-one

5,5,6-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-one (PubChem CID 56694218) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 5,5,6-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name5,5,6-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-one
PubChem CID56694218
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name5,5,6-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-one
SMILESCC(C)NC1C(=O)C2CC1C(C)(C)C2C
InChIInChI=1S/C13H23NO/c1-7(2)14-11-10-6-9(12(11)15)8(3)13(10,4)5/h7-11,14H,6H2,1-5H3
InChIKeyBFUURVQCHCCWLJ-UHFFFAOYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,6-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 5,5,6-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-one (CID 56694218) is 5,5,6-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 5,5,6-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 5,5,6-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-one is CC(C)NC1C(=O)C2CC1C(C)(C)C2C.
What is the InChIKey of 5,5,6-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-one?
The InChIKey is BFUURVQCHCCWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-7(2)14-11-10-6-9(12(11)15)8(3)13(10,4)5/h7-11,14H,6H2,1-5H3.
What are the key properties of 5,5,6-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-one?
5,5,6-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-one has a molecular weight of 209.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 56694218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).