9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine

C14H21N — CID 123277860

IUPAC9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine
SMILESCC1=C2CCCCC2=NC2CCCCC12
InChIInChI=1S/C14H21N/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h11,13H,2-9H2,1H3
InChIKeyTWWVLGHGNPLIJD-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.89
Rot. Bonds

About 9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine

9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine (PubChem CID 123277860) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine.

Molecular Properties

Compound Name9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine
PubChem CID123277860
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine
SMILESCC1=C2CCCCC2=NC2CCCCC12
InChIInChI=1S/C14H21N/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h11,13H,2-9H2,1H3
InChIKeyTWWVLGHGNPLIJD-UHFFFAOYSA-N
XLogP3.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4,4a,5,6,7,8,9a-Decahydroacridin-9-amine
CID 44393119
N-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine
CID 135050320
N-[2-(trifluoromethyl)cyclohexyl]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-imine
CID 24870421
4,6-Dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,5,9(16),11-tetraene
CID 56625147
4-Methyl-6-propyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
CID 56631573
4,6-Dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
CID 57152936
1,2,3,4,4a,5,6,7,8,8a-Decahydroacridine
CID 69183703
6-Chloro-9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine
CID 123323087
2-Propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline
CID 134228469
2-Hexyl-3-pentyl-4a,5,6,7,8,8a-hexahydroquinoline
CID 140474535
3,4-Dimethyl-4a,5,6,7,8,8a-hexahydroquinoline
CID 166858563
N-cyclohexyl-3,5-dimethylcyclohex-2-en-1-imine
CID 21679433

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine?
The IUPAC name of 9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine (CID 123277860) is 9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine.
What is the SMILES notation for 9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine?
The canonical SMILES for 9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine is CC1=C2CCCCC2=NC2CCCCC12.
What is the InChIKey of 9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine?
The InChIKey is TWWVLGHGNPLIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h11,13H,2-9H2,1H3.
What are the key properties of 9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine?
9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine has a molecular weight of 203.33 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine is sourced from PubChem (CID 123277860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).