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

C14H20ClN — CID 123323087

IUPAC6-chloro-9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine
SMILESCC1=C2CCC(Cl)CC2=NC2CCCCC12
InChIInChI=1S/C14H20ClN/c1-9-11-4-2-3-5-13(11)16-14-8-10(15)6-7-12(9)14/h10-11,13H,2-8H2,1H3
InChIKeyNAHRUIYGTAXJFC-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.11
Rot. Bonds

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

6-chloro-9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine (PubChem CID 123323087) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 6-chloro-9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine.

Molecular Properties

Compound Name6-chloro-9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine
PubChem CID123323087
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name6-chloro-9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine
SMILESCC1=C2CCC(Cl)CC2=NC2CCCCC12
InChIInChI=1S/C14H20ClN/c1-9-11-4-2-3-5-13(11)16-14-8-10(15)6-7-12(9)14/h10-11,13H,2-8H2,1H3
InChIKeyNAHRUIYGTAXJFC-UHFFFAOYSA-N
XLogP4.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

9-Methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine
CID 123277860

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine?
The IUPAC name of 6-chloro-9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine (CID 123323087) is 6-chloro-9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine.
What is the SMILES notation for 6-chloro-9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine?
The canonical SMILES for 6-chloro-9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine is CC1=C2CCC(Cl)CC2=NC2CCCCC12.
What is the InChIKey of 6-chloro-9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine?
The InChIKey is NAHRUIYGTAXJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-9-11-4-2-3-5-13(11)16-14-8-10(15)6-7-12(9)14/h10-11,13H,2-8H2,1H3.
What are the key properties of 6-chloro-9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine?
6-chloro-9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine has a molecular weight of 237.77 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-methyl-1,2,3,4,4a,5,6,7,8,9a-decahydroacridine is sourced from PubChem (CID 123323087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).