(4aR,8aS,9aS,10aR)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridin-9-ol

C14H25NO — CID 125496028

IUPAC(4aR,8aS,9aS,10aR)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridin-9-ol
SMILESCN1[C@@H]2CCCC[C@@H]2C(O)[C@H]2CCCC[C@H]21
InChIInChI=1S/C14H25NO/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h10-14,16H,2-9H2,1H3/t10-,11-,12+,13+/m0/s1
InChIKeyMAQSZUVFEKYCAG-WUHRBBMRSA-N
MW223.36 g/mol
LogP2.41
Rot. Bonds

About (4aR,8aS,9aS,10aR)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridin-9-ol

(4aR,8aS,9aS,10aR)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridin-9-ol (PubChem CID 125496028) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (4aR,8aS,9aS,10aR)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridin-9-ol.

Molecular Properties

Compound Name(4aR,8aS,9aS,10aR)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridin-9-ol
PubChem CID125496028
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(4aR,8aS,9aS,10aR)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridin-9-ol
SMILESCN1[C@@H]2CCCC[C@@H]2C(O)[C@H]2CCCC[C@H]21
InChIInChI=1S/C14H25NO/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h10-14,16H,2-9H2,1H3/t10-,11-,12+,13+/m0/s1
InChIKeyMAQSZUVFEKYCAG-WUHRBBMRSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR,8aS,9aS,10aR)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridin-9-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aS,9aS,10aR)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridin-9-ol?
The IUPAC name of (4aR,8aS,9aS,10aR)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridin-9-ol (CID 125496028) is (4aR,8aS,9aS,10aR)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridin-9-ol.
What is the SMILES notation for (4aR,8aS,9aS,10aR)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridin-9-ol?
The canonical SMILES for (4aR,8aS,9aS,10aR)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridin-9-ol is CN1[C@@H]2CCCC[C@@H]2C(O)[C@H]2CCCC[C@H]21.
What is the InChIKey of (4aR,8aS,9aS,10aR)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridin-9-ol?
The InChIKey is MAQSZUVFEKYCAG-WUHRBBMRSA-N. The full InChI is InChI=1S/C14H25NO/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h10-14,16H,2-9H2,1H3/t10-,11-,12+,13+/m0/s1.
What are the key properties of (4aR,8aS,9aS,10aR)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridin-9-ol?
(4aR,8aS,9aS,10aR)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridin-9-ol has a molecular weight of 223.36 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS,9aS,10aR)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridin-9-ol is sourced from PubChem (CID 125496028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).