azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C10H21NO — CID 174585091

IUPACazane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@]1(C)[C@@H](O)C2.N
InChIInChI=1S/C10H18O.H3N/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7-8,11H,4-6H2,1-3H3;1H3/t7-,8+,10-;/m1./s1
InChIKeyWJTNPHJLHGGTTK-JUHCGIOYSA-N
MW171.28 g/mol
LogP2.36
Rot. Bonds

About azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 174585091) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Nameazane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID174585091
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameazane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@]1(C)[C@@H](O)C2.N
InChIInChI=1S/C10H18O.H3N/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7-8,11H,4-6H2,1-3H3;1H3/t7-,8+,10-;/m1./s1
InChIKeyWJTNPHJLHGGTTK-JUHCGIOYSA-N
XLogP2.36
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)
CID 174915941
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea
CID 170163545
formic acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175147458
phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175476100
oxolane-2,5-dione;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174877215
(1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 135369493
methyl prop-2-enoate;(1S,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174921390
octanoic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175142165
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
butane-1,4-diol;4-oxopentanoic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175441647

Frequently Asked Questions

What is the IUPAC name of azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 174585091) is azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)[C@@H]2CC[C@]1(C)[C@@H](O)C2.N.
What is the InChIKey of azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is WJTNPHJLHGGTTK-JUHCGIOYSA-N. The full InChI is InChI=1S/C10H18O.H3N/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7-8,11H,4-6H2,1-3H3;1H3/t7-,8+,10-;/m1./s1.
What are the key properties of azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 2.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 174585091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).