6-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

C10H17NO — CID 170691455

IUPAC6-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCC1(C)C2CC(=O)C1(C)C(N)C2
InChIInChI=1S/C10H17NO/c1-9(2)6-4-7(11)10(9,3)8(12)5-6/h6-7H,4-5,11H2,1-3H3
InChIKeyLNPBJUVGQLRVTH-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.34
Rot. Bonds

About 6-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

6-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (PubChem CID 170691455) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 6-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name6-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
PubChem CID170691455
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name6-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCC1(C)C2CC(=O)C1(C)C(N)C2
InChIInChI=1S/C10H17NO/c1-9(2)6-4-7(11)10(9,3)8(12)5-6/h6-7H,4-5,11H2,1-3H3
InChIKeyLNPBJUVGQLRVTH-UHFFFAOYSA-N
XLogP1.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,4S,6R)-6-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 23310004
6-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 4737082
[(1S,2S,4R)-1,7,7-trimethyl-6-oxo-2-bicyclo[2.2.1]heptanyl] propanoate
CID 101126195
(1,7,7-trimethyl-6-oxo-2-bicyclo[2.2.1]heptanyl) propanoate
CID 170691195
2,2,3-trimethyltricyclo[3.2.1.03,6]octan-4-one
CID 130037552
sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 174955464
1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea
CID 162060866
(1S,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one
CID 13468510
(1R,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one
CID 13468509
methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 19002656
4-amino-3,3-dimethyloxolan-2-one
CID 59657819
1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one
CID 170691417

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of 6-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (CID 170691455) is 6-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 6-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 6-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is CC1(C)C2CC(=O)C1(C)C(N)C2.
What is the InChIKey of 6-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The InChIKey is LNPBJUVGQLRVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(2)6-4-7(11)10(9,3)8(12)5-6/h6-7H,4-5,11H2,1-3H3.
What are the key properties of 6-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
6-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 170691455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).