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

C14H25N — CID 100964186

IUPAC(4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine
SMILESCN1[C@@H]2CCCC[C@H]2C[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C14H25N/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h11-14H,2-10H2,1H3/t11-,12-,13-,14+/m0/s1
InChIKeyQSBOLGXNGSHMEK-XDQVBPFNSA-N
MW207.36 g/mol
LogP3.44
Rot. Bonds

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

(4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine (PubChem CID 100964186) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine.

Molecular Properties

Compound Name(4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine
PubChem CID100964186
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine
SMILESCN1[C@@H]2CCCC[C@H]2C[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C14H25N/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h11-14H,2-10H2,1H3/t11-,12-,13-,14+/m0/s1
InChIKeyQSBOLGXNGSHMEK-XDQVBPFNSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine?
The IUPAC name of (4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine (CID 100964186) is (4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine.
What is the SMILES notation for (4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine?
The canonical SMILES for (4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine is CN1[C@@H]2CCCC[C@H]2C[C@@H]2CCCC[C@@H]21.
What is the InChIKey of (4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine?
The InChIKey is QSBOLGXNGSHMEK-XDQVBPFNSA-N. The full InChI is InChI=1S/C14H25N/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h11-14H,2-10H2,1H3/t11-,12-,13-,14+/m0/s1.
What are the key properties of (4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine?
(4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine has a molecular weight of 207.36 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine is sourced from PubChem (CID 100964186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).