(1S,4R,5R,8R)-5-(methylamino)bicyclo[6.1.0]nonan-4-ol

C10H19NO — CID 125453764

IUPAC(1S,4R,5R,8R)-5-(methylamino)bicyclo[6.1.0]nonan-4-ol
SMILESCN[C@@H]1CC[C@@H]2C[C@@H]2CC[C@H]1O
InChIInChI=1S/C10H19NO/c1-11-9-4-2-7-6-8(7)3-5-10(9)12/h7-12H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
InChIKeyNOIARMUZTMXJBI-UTINFBMNSA-N
MW169.27 g/mol
LogP1.15
Rot. Bonds1

About (1S,4R,5R,8R)-5-(methylamino)bicyclo[6.1.0]nonan-4-ol

(1S,4R,5R,8R)-5-(methylamino)bicyclo[6.1.0]nonan-4-ol (PubChem CID 125453764) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1S,4R,5R,8R)-5-(methylamino)bicyclo[6.1.0]nonan-4-ol.

Molecular Properties

Compound Name(1S,4R,5R,8R)-5-(methylamino)bicyclo[6.1.0]nonan-4-ol
PubChem CID125453764
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1S,4R,5R,8R)-5-(methylamino)bicyclo[6.1.0]nonan-4-ol
SMILESCN[C@@H]1CC[C@@H]2C[C@@H]2CC[C@H]1O
InChIInChI=1S/C10H19NO/c1-11-9-4-2-7-6-8(7)3-5-10(9)12/h7-12H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
InChIKeyNOIARMUZTMXJBI-UTINFBMNSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,5R,8R)-5-(methylamino)bicyclo[6.1.0]nonan-4-ol?
The IUPAC name of (1S,4R,5R,8R)-5-(methylamino)bicyclo[6.1.0]nonan-4-ol (CID 125453764) is (1S,4R,5R,8R)-5-(methylamino)bicyclo[6.1.0]nonan-4-ol.
What is the SMILES notation for (1S,4R,5R,8R)-5-(methylamino)bicyclo[6.1.0]nonan-4-ol?
The canonical SMILES for (1S,4R,5R,8R)-5-(methylamino)bicyclo[6.1.0]nonan-4-ol is CN[C@@H]1CC[C@@H]2C[C@@H]2CC[C@H]1O.
What is the InChIKey of (1S,4R,5R,8R)-5-(methylamino)bicyclo[6.1.0]nonan-4-ol?
The InChIKey is NOIARMUZTMXJBI-UTINFBMNSA-N. The full InChI is InChI=1S/C10H19NO/c1-11-9-4-2-7-6-8(7)3-5-10(9)12/h7-12H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1.
What are the key properties of (1S,4R,5R,8R)-5-(methylamino)bicyclo[6.1.0]nonan-4-ol?
(1S,4R,5R,8R)-5-(methylamino)bicyclo[6.1.0]nonan-4-ol has a molecular weight of 169.27 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5R,8R)-5-(methylamino)bicyclo[6.1.0]nonan-4-ol is sourced from PubChem (CID 125453764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).