azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane

C10H21N — CID 143055597

IUPACazane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
SMILESCC1CC[C@@H]2CC1C2(C)C.N
InChIInChI=1S/C10H18.H3N/c1-7-4-5-8-6-9(7)10(8,2)3;/h7-9H,4-6H2,1-3H3;1H3/t7?,8-,9?;/m1./s1
InChIKeyHRDRUZYQBAIUIS-NHLJRWNWSA-N
MW155.28 g/mol
LogP3.24
Rot. Bonds

About azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane

azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane (PubChem CID 143055597) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane.

Molecular Properties

Compound Nameazane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
PubChem CID143055597
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameazane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
SMILESCC1CC[C@@H]2CC1C2(C)C.N
InChIInChI=1S/C10H18.H3N/c1-7-4-5-8-6-9(7)10(8,2)3;/h7-9H,4-6H2,1-3H3;1H3/t7?,8-,9?;/m1./s1
InChIKeyHRDRUZYQBAIUIS-NHLJRWNWSA-N
XLogP3.24
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 6429433
ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979197
ethane;(2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979252
potassium;2,6,6-trimethylbicyclo[3.1.1]heptane;acetate
CID 175847104
(1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane;hydrate
CID 68845775
(1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
CID 11263535
[(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol
CID 66964570
(1S,2R,3R,5S)-2,3,6,6-tetramethylbicyclo[3.1.1]heptane
CID 54037788
zinc bis(2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane)
CID 19695024
zinc bis((1S,5S)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane)
CID 24943249
(1R,2S,5R)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane;zinc
CID 134864548
molecular hydrogen;1,1,2,3-tetramethylcyclohexane;1,1,2,5-tetramethylcyclohexane;2,6,6-trimethylbicyclo[3.1.1]heptane
CID 160699164

Frequently Asked Questions

What is the IUPAC name of azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane?
The IUPAC name of azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane (CID 143055597) is azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane.
What is the SMILES notation for azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane?
The canonical SMILES for azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane is CC1CC[C@@H]2CC1C2(C)C.N.
What is the InChIKey of azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane?
The InChIKey is HRDRUZYQBAIUIS-NHLJRWNWSA-N. The full InChI is InChI=1S/C10H18.H3N/c1-7-4-5-8-6-9(7)10(8,2)3;/h7-9H,4-6H2,1-3H3;1H3/t7?,8-,9?;/m1./s1.
What are the key properties of azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane?
azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane has a molecular weight of 155.28 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane is sourced from PubChem (CID 143055597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).