(1S,4S)-7-(dimethylamino)bicyclo[2.2.1]heptan-2-ol

C9H17NO — CID 67352000

IUPAC(1S,4S)-7-(dimethylamino)bicyclo[2.2.1]heptan-2-ol
SMILESCN(C)C1[C@H]2CC[C@@H]1C(O)C2
InChIInChI=1S/C9H17NO/c1-10(2)9-6-3-4-7(9)8(11)5-6/h6-9,11H,3-5H2,1-2H3/t6-,7+,8?,9?/m0/s1
InChIKeyCBLBWDRSAOHXAA-MZUZGICHSA-N
MW155.24 g/mol
LogP0.71
Rot. Bonds1

About (1S,4S)-7-(dimethylamino)bicyclo[2.2.1]heptan-2-ol

(1S,4S)-7-(dimethylamino)bicyclo[2.2.1]heptan-2-ol (PubChem CID 67352000) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1S,4S)-7-(dimethylamino)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,4S)-7-(dimethylamino)bicyclo[2.2.1]heptan-2-ol
PubChem CID67352000
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1S,4S)-7-(dimethylamino)bicyclo[2.2.1]heptan-2-ol
SMILESCN(C)C1[C@H]2CC[C@@H]1C(O)C2
InChIInChI=1S/C9H17NO/c1-10(2)9-6-3-4-7(9)8(11)5-6/h6-9,11H,3-5H2,1-2H3/t6-,7+,8?,9?/m0/s1
InChIKeyCBLBWDRSAOHXAA-MZUZGICHSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-7-(dimethylamino)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,4S)-7-(dimethylamino)bicyclo[2.2.1]heptan-2-ol (CID 67352000) is (1S,4S)-7-(dimethylamino)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,4S)-7-(dimethylamino)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,4S)-7-(dimethylamino)bicyclo[2.2.1]heptan-2-ol is CN(C)C1[C@H]2CC[C@@H]1C(O)C2.
What is the InChIKey of (1S,4S)-7-(dimethylamino)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is CBLBWDRSAOHXAA-MZUZGICHSA-N. The full InChI is InChI=1S/C9H17NO/c1-10(2)9-6-3-4-7(9)8(11)5-6/h6-9,11H,3-5H2,1-2H3/t6-,7+,8?,9?/m0/s1.
What are the key properties of (1S,4S)-7-(dimethylamino)bicyclo[2.2.1]heptan-2-ol?
(1S,4S)-7-(dimethylamino)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 155.24 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-7-(dimethylamino)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 67352000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).