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

C11H21NO — CID 125451695

IUPAC(1R,4S,5R,8R)-5-(ethylamino)bicyclo[6.1.0]nonan-4-ol
SMILESCCN[C@@H]1CC[C@@H]2C[C@H]2CC[C@@H]1O
InChIInChI=1S/C11H21NO/c1-2-12-10-5-3-8-7-9(8)4-6-11(10)13/h8-13H,2-7H2,1H3/t8-,9-,10-,11+/m1/s1
InChIKeyCIZZPLKTZUJNID-DBIOUOCHSA-N
MW183.30 g/mol
LogP1.54
Rot. Bonds2

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

(1R,4S,5R,8R)-5-(ethylamino)bicyclo[6.1.0]nonan-4-ol (PubChem CID 125451695) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is (1R,4S,5R,8R)-5-(ethylamino)bicyclo[6.1.0]nonan-4-ol.

Molecular Properties

Compound Name(1R,4S,5R,8R)-5-(ethylamino)bicyclo[6.1.0]nonan-4-ol
PubChem CID125451695
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name(1R,4S,5R,8R)-5-(ethylamino)bicyclo[6.1.0]nonan-4-ol
SMILESCCN[C@@H]1CC[C@@H]2C[C@H]2CC[C@@H]1O
InChIInChI=1S/C11H21NO/c1-2-12-10-5-3-8-7-9(8)4-6-11(10)13/h8-13H,2-7H2,1H3/t8-,9-,10-,11+/m1/s1
InChIKeyCIZZPLKTZUJNID-DBIOUOCHSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R,8R)-5-(ethylamino)bicyclo[6.1.0]nonan-4-ol?
The IUPAC name of (1R,4S,5R,8R)-5-(ethylamino)bicyclo[6.1.0]nonan-4-ol (CID 125451695) is (1R,4S,5R,8R)-5-(ethylamino)bicyclo[6.1.0]nonan-4-ol.
What is the SMILES notation for (1R,4S,5R,8R)-5-(ethylamino)bicyclo[6.1.0]nonan-4-ol?
The canonical SMILES for (1R,4S,5R,8R)-5-(ethylamino)bicyclo[6.1.0]nonan-4-ol is CCN[C@@H]1CC[C@@H]2C[C@H]2CC[C@@H]1O.
What is the InChIKey of (1R,4S,5R,8R)-5-(ethylamino)bicyclo[6.1.0]nonan-4-ol?
The InChIKey is CIZZPLKTZUJNID-DBIOUOCHSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-12-10-5-3-8-7-9(8)4-6-11(10)13/h8-13H,2-7H2,1H3/t8-,9-,10-,11+/m1/s1.
What are the key properties of (1R,4S,5R,8R)-5-(ethylamino)bicyclo[6.1.0]nonan-4-ol?
(1R,4S,5R,8R)-5-(ethylamino)bicyclo[6.1.0]nonan-4-ol has a molecular weight of 183.30 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R,8R)-5-(ethylamino)bicyclo[6.1.0]nonan-4-ol is sourced from PubChem (CID 125451695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).